Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C6H3Cl2NO2

Suppliers	Catalog Number
Sigma Aldrich	574880
Matrix Scientific	048730
Apollo Scientific	OR1745

Database	Data ID
PubChem	605763

M. W.

191.99952

CAS

13958-93-5

Similarity

N/A

ID: 45252

6-amino-5-bromopyridine-3-carboxylic acid

$$$$ Data More

M. F.

C6H5BrN2O2

Suppliers	Catalog Number
Matrix Scientific	048731
Apollo Scientific	OR16907
Enamine	EN300-109680

Database	Data ID
PubChem	22742028

M. W.

217.0201

CAS

180340-69-6

Similarity

N/A

ID: 45253

4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol

$$$$ Data

M. F.

C25H18O2

Suppliers	Catalog Number
Sigma Aldrich	399981 46914 46914
Matrix Scientific	048732
Bide Pharmatech	BD1699

Database	Data ID
PubChem	76716

M. W.

350.40922

CAS

3236-71-3

Similarity

N/A

ID: 45254

6-bromohexanoic acid

$$$$ Data More

M. F.

C6H11BrO2

Suppliers	Catalog Number
Sigma Aldrich	150452 16594
MP Biomedicals	05215350
Alfa Aesar	A15761

Database	Data ID
PubChem	20210

M. W.

195.05434

CAS

4224-70-8

Similarity

N/A

ID: 45255

2-(2-methylpropoxy)aniline hydrochloride

$$$$ Data

M. F.

C10H16ClNO

Suppliers	Catalog Number
Matrix Scientific	048735

Database	Data ID
PubChem	16641302

M. W.

201.69314

CAS

Similarity

N/A

ID: 45256

1-(4-propoxyphenyl)propan-1-amine hydrochloride

$$$$ Data

M. F.

C12H20ClNO

Suppliers	Catalog Number
Matrix Scientific	048736

Database	Data ID
PubChem	24779673

M. W.

229.7463

CAS

Similarity

N/A

ID: 45257

1-(2-ethoxyphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C10H16ClNO

Suppliers	Catalog Number
Matrix Scientific	048737

Database	Data ID
PubChem	25049759

M. W.

201.69314

CAS

Similarity

N/A

ID: 45258

1-(4-propoxyphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Matrix Scientific	048738

Database	Data ID
PubChem	25049758

M. W.

215.71972

CAS

Similarity

N/A

ID: 45259

[2-(butan-2-yloxy)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Matrix Scientific	048739

Database	Data ID
PubChem	25049765

M. W.

215.71972

CAS

Similarity

N/A

ID: 45260

3-(benzylamino)propanenitrile hydrochloride

$$$$ Data

M. F.

C10H13ClN2

Suppliers	Catalog Number
Matrix Scientific	048741

Database	Data ID
PubChem	25049766

M. W.

196.67662

CAS

Similarity

N/A

ID: 45261

N-benzylcyclopentanamine hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Matrix Scientific	048742

Database	Data ID
PubChem	17289667

M. W.

211.73102

CAS

Similarity

N/A

ID: 45262

(butan-2-yl)(ethyl)amine hydrochloride

$$$$ Data

M. F.

C6H16ClN

Suppliers	Catalog Number
Sigma Aldrich	CBR00870
Matrix Scientific	048743

Database	Data ID
PubChem	25049831

M. W.

137.65094

CAS

Similarity

N/A

ID: 45263

4-(2-aminoethyl)-N,N-dimethylaniline dihydrochloride

$$$$ Data

M. F.

C10H18Cl2N2

Suppliers	Catalog Number
Matrix Scientific	048744

Database	Data ID
PubChem	25049780

M. W.

237.16932

CAS

Similarity

N/A

ID: 45264

1-cyclopropanecarbonylpiperazine hydrochloride

$$$$ Data

M. F.

C8H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	048745
Apollo Scientific	OR0246
Enamine	EN300-11271

Database	Data ID
PubChem	20847955

M. W.

190.6705

CAS

59878-57-8

Similarity

N/A

ID: 45265

[1-(cyclopropylmethyl)piperidin-4-yl]methanamine

$$$$ Data

M. F.

C10H20N2

Suppliers	Catalog Number
ChemBridge	4033847
Matrix Scientific	048746

Database	Data ID
PubChem	24274889

M. W.

168.2792

CAS

1017400-92-8

Similarity

N/A

ID: 45266

N-ethyl-4-nitroaniline hydrochloride

$$$$ Data

M. F.

C8H11ClN2O2

Suppliers	Catalog Number
Matrix Scientific	048747

Database	Data ID
PubChem	18318609

M. W.

202.63814

CAS

Similarity

N/A

ID: 45267

(Z)-2-chloro-N'-hydroxybenzene-1-carboximidamide

$$$$ Data

M. F.

C7H7ClN2O

Suppliers	Catalog Number
Matrix Scientific	048748
Life Chemicals	F2158-1163
Enamine	EN300-03998

Database	Data ID
PubChem	9634122

M. W.

170.59628

CAS

56935-60-5

Similarity

N/A

ID: 45268

4-(butan-2-yl)aniline

$$$$ Data

M. F.

C10H15N

Suppliers	Catalog Number
Matrix Scientific	048749
Bide Pharmatech	BD100230

Database	Data ID
PubChem	121771

M. W.

149.2328

CAS

30273-11-1

Similarity

N/A

ID: 45269

3-methylcyclohexan-1-amine

$$$$ Data

M. F.

C7H15N

Suppliers	Catalog Number
Matrix Scientific	048750
A&J Pharmtech	AJA-O14547

Database	Data ID
PubChem	110931

M. W.

113.2007

CAS

6850-35-7

Similarity

N/A

ID: 45270

3-(2-aminophenyl)-N,N-dimethylpropanamide

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
ChemBridge	4033788
Matrix Scientific	048751

Database	Data ID
PubChem	25190940

M. W.

192.25754

CAS

1018506-33-6

Similarity

N/A

ID: 45271

(2,4-dichlorophenyl)methanamine hydrochloride

$$$$ Data

M. F.

C7H8Cl3N

Suppliers	Catalog Number
Matrix Scientific	048752

Database	Data ID
PubChem	24196451

M. W.

212.50412

CAS

Similarity

N/A

ID: 45272

(3-methyl-1H-pyrazol-5-yl)methanol

$$$$ Data

M. F.

C5H8N2O

Suppliers	Catalog Number
ChemBridge	9071105
Matrix Scientific	048753
Bide Pharmatech	BD175277

Database	Data ID
PubChem	730093

M. W.

112.12982

CAS

29004-73-7

Similarity

N/A

ID: 45273

2-butoxynaphthalene-1-carbaldehyde

$$$$ Data

M. F.

C15H16O2

Suppliers	Catalog Number
Matrix Scientific	048754

Database	Data ID
PubChem	2296147

M. W.

228.28634

CAS

Similarity

N/A

ID: 45274

3-(4-nitrophenyl)prop-2-enoic acid

$$$$ Data More

M. F.

C9H7NO4

Suppliers	Catalog Number
Sigma Aldrich	74140 N16428
MP Biomedicals	05216423
Alfa Aesar	A12990

Database	Data ID
PubChem	737157

M. W.

193.15618

CAS

619-89-6

Similarity

N/A

ID: 45275

N-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methyl}formamide

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Matrix Scientific	048756

Database	Data ID
PubChem	44229262

M. W.

221.2524

CAS

Similarity

N/A

ID: 45276

(2E)-3-(4-aminophenyl)-N-methylprop-2-enamide

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Matrix Scientific	048757

Database	Data ID
PubChem	44229261

M. W.

176.21508

CAS

Similarity

N/A

ID: 45277

3-(2-nitrophenyl)prop-2-enoic acid

$$$$ Data More

M. F.

C9H7NO4

Suppliers	Catalog Number
Sigma Aldrich	N16401
MP Biomedicals	02155876
Alfa Aesar	A13171

Database	Data ID
PubChem	735923

M. W.

193.15618

CAS

612-41-9

Similarity

N/A

ID: 45278

4-(3-methylbutoxy)benzaldehyde

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Matrix Scientific	048759
Enamine	EN300-01035

Database	Data ID
PubChem	250101

M. W.

192.25424

CAS

18986-09-9

Similarity

N/A

ID: 45279

3-bromo-4-methylbenzamide

$$$$ Data

M. F.

C8H8BrNO

Suppliers	Catalog Number
ChemBridge	7056783
Matrix Scientific	048760
A&J Pharmtech	AJA-O12706 AJA-O12702

Database	Data ID
PubChem	681061

M. W.

214.05922

CAS

183723-09-3

Similarity

N/A

ID: 45280

3-nitro-N-propylaniline hydrochloride

$$$$ Data

M. F.

C9H13ClN2O2

Suppliers	Catalog Number
Matrix Scientific	048761

Database	Data ID
PubChem	44229259

M. W.

216.66472

CAS

Similarity

N/A

ID: 45281

(3-methoxy-4-propoxyphenyl)methanamine

$$$$ Data

M. F.

C11H17NO2

Suppliers	Catalog Number
Matrix Scientific	048762
Enamine	EN300-36486

Database	Data ID
PubChem	16794829

M. W.

195.25818

CAS

854207-58-2

Similarity

N/A

ID: 45282

(4-butoxy-3-methoxyphenyl)methanamine

$$$$ Data

M. F.

C12H19NO2

Suppliers	Catalog Number
Matrix Scientific	048763
Enamine	EN300-40033

Database	Data ID
PubChem	7139464

M. W.

209.28476

CAS

Similarity

N/A

ID: 45283

methyl 5-chloro-2-hydroxybenzoate

$$$$ Data More

M. F.

C8H7ClO3

Suppliers	Catalog Number
Sigma Aldrich	165018
Alfa Aesar	A19971
Matrix Scientific	048764

Database	Data ID
PubChem	77684

M. W.

186.59238

CAS

4068-78-4

Similarity

N/A

ID: 45284

2,4-dimethyl-6-nitroaniline

$$$$ Data More

M. F.

C8H10N2O2

Suppliers	Catalog Number
Sigma Aldrich	422940 247235
Alfa Aesar	H25924
Matrix Scientific	048765

Database	Data ID
PubChem	74219

M. W.

166.1772

CAS

1635-84-3

Similarity

N/A

ID: 45285

(Z)-N-[1-(2-ethoxyphenyl)ethylidene]hydroxylamine

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Matrix Scientific	048766

Database	Data ID
PubChem	24779670

M. W.

179.21572

CAS

Similarity

N/A

ID: 45286

N-ethyl-2-methoxyaniline hydrochloride

$$$$ Data

M. F.

C9H14ClNO

Suppliers	Catalog Number
Matrix Scientific	048767

Database	Data ID
PubChem	24779668

M. W.

187.66656

CAS

Similarity

N/A

ID: 45287

1-(4-ethoxyphenyl)propan-1-amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Matrix Scientific	048768

Database	Data ID
PubChem	25049767

M. W.

215.71972

CAS

Similarity

N/A

ID: 45288

2-(3-propoxyphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Matrix Scientific	048769

Database	Data ID
PubChem	25049779

M. W.

215.71972

CAS

Similarity

N/A

ID: 45289

2-[3-(propan-2-yloxy)phenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Matrix Scientific	048770

Database	Data ID
PubChem	44229289

M. W.

215.71972

CAS

Similarity

N/A

ID: 45290

2-[2-(propan-2-yloxy)phenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Matrix Scientific	048771

Database	Data ID
PubChem	44229286

M. W.

215.71972

CAS

Similarity

N/A

ID: 45291

2-[2-(3-methylbutoxy)phenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C13H22ClNO

Suppliers	Catalog Number
Matrix Scientific	048772

Database	Data ID
PubChem	44229287

M. W.

243.77288

CAS

1201633-45-5

Similarity

N/A

ID: 45292

N-{[4-hydroxy-3-(prop-2-en-1-yl)phenyl]methyl}formamide

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Matrix Scientific	048773

Database	Data ID
PubChem	44229285

M. W.

191.22642

CAS

Similarity

N/A

ID: 45293

2-(2-propoxyphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Matrix Scientific	048774

Database	Data ID
PubChem	44229283

M. W.

215.71972

CAS

Similarity

N/A

ID: 45294

[3-methoxy-4-(3-methylbutoxy)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C13H22ClNO2

Suppliers	Catalog Number
Matrix Scientific	048775

Database	Data ID
PubChem	44229282

M. W.

259.77228

CAS

Similarity

N/A

ID: 45295

4,4-dimethylpentanoic acid

$$$$ Data

M. F.

C7H14O2

Suppliers	Catalog Number
ChemBridge	4027662
Matrix Scientific	048776
Enamine	EN300-80467

Database	Data ID
PubChem	14237

M. W.

130.18486

CAS

1118-47-4

Similarity

N/A

ID: 45296

3-(2-aminophenyl)-N-methylpropanamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
ChemBridge	4032084
Matrix Scientific	048777

Database	Data ID
PubChem	28748913

M. W.

178.23096

CAS

1018506-37-0

Similarity

N/A

ID: 45297

2-[4-(2-methoxyethoxy)phenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO2

Suppliers	Catalog Number
Matrix Scientific	048778

Database	Data ID
PubChem	44229279

M. W.

231.71912

CAS

Similarity

N/A

ID: 45298

{1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methanamine

$$$$ Data

M. F.

C12H20N2O

Suppliers	Catalog Number
ChemBridge	4034628
Matrix Scientific	048779

Database	Data ID
PubChem	44236856

M. W.

208.3

CAS

1185320-32-4

Similarity

N/A

ID: 45299

[1-(furan-2-ylmethyl)piperidin-3-yl]methanamine

$$$$ Data

M. F.

C11H18N2O

Suppliers	Catalog Number
ChemBridge	4034469
Matrix Scientific	048780

Database	Data ID
PubChem	11344573

M. W.

194.27342

CAS

725212-65-7

Similarity

N/A

ID: 45300

(2-butoxynaphthalen-1-yl)methanamine hydrochloride

$$$$ Data

M. F.

C15H20ClNO

Suppliers	Catalog Number
Matrix Scientific	048781

Database	Data ID
PubChem	44229295

M. W.

265.7784

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified