Chembase list of 866358 unique molecular structures

2-{[(4-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride

$$$$ Data

M. F.

C12H17Cl2NO2

Suppliers	Catalog Number
Enamine	EN300-43484

Database	Data ID
PubChem	42935502

M. W.

278.17488

CAS

Similarity

N/A

ID: 259552

4-(1H-imidazol-1-yl)-2-(trifluoromethyl)aniline

$$$$ Data

M. F.

C10H8F3N3

Suppliers	Catalog Number
Enamine	EN300-43485

Database	Data ID
PubChem	16772420

M. W.

227.1858296

CAS

Similarity

N/A

ID: 259553

3-[2-(1H-imidazol-1-yl)ethoxy]aniline dihydrochloride

$$$$ Data

M. F.

C11H15Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-43487

Database	Data ID
PubChem	42960572

M. W.

276.1623

CAS

Similarity

N/A

ID: 259554

1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C9H7N3O

Suppliers	Catalog Number
Enamine	EN300-43488

Database	Data ID
PubChem	24704893

M. W.

173.17138

CAS

896717-66-1

Similarity

N/A

ID: 259555

ethyl 3-carbamoyl-6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

$$$$ Data

M. F.

C13H16N4O4

Suppliers	Catalog Number
Enamine	EN300-43490

Database	Data ID
PubChem	39869115

M. W.

292.29054

CAS

Similarity

N/A

ID: 259556

3-[(2-bromophenyl)methoxy]benzoic acid

$$$$ Data

M. F.

C14H11BrO3

Suppliers	Catalog Number
Enamine	EN300-43491

Database	Data ID
PubChem	16228281

M. W.

307.13934

CAS

Similarity

N/A

ID: 259557

6-methylpiperidine-3-carboxamide

$$$$ Data

M. F.

C7H14N2O

Suppliers	Catalog Number
Enamine	EN300-43493

Database	Data ID
PubChem	24689592

M. W.

142.19886

CAS

Similarity

N/A

ID: 259558

1-(2-aminophenyl)-3,3-dimethylurea

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
Enamine	EN300-43494

Database	Data ID
PubChem	39869116

M. W.

179.21902

CAS

Similarity

N/A

ID: 259559

pentan-2-amine hydrochloride

$$$$ Data

M. F.

C5H14ClN

Suppliers	Catalog Number
Enamine	EN300-43495

Database	Data ID
PubChem	12596144

M. W.

123.62436

CAS

Similarity

N/A

ID: 259560

8-bromo-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C8H5BrN2O

Suppliers	Catalog Number
Enamine	EN300-43497

Database	Data ID
PubChem	12667711

M. W.

225.0421

CAS

Similarity

N/A

ID: 259561

1-[(4-chlorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

$$$$ Data

M. F.

C14H10ClN3O2

Suppliers	Catalog Number
Enamine	EN300-43498

Database	Data ID
PubChem	16779579

M. W.

287.7011

CAS

Similarity

N/A

ID: 259562

4-[(3-fluorophenyl)methylidene]piperidine

$$$$ Data

M. F.

C12H14FN

Suppliers	Catalog Number
Enamine	EN300-43499

Database	Data ID
PubChem	15481053

M. W.

191.2446632

CAS

Similarity

N/A

ID: 259563

2-{4-[(2-aminophenyl)methoxy]phenyl}acetonitrile

$$$$ Data

M. F.

C15H14N2O

Suppliers	Catalog Number
Enamine	EN300-43501

Database	Data ID
PubChem	18069564

M. W.

238.28446

CAS

Similarity

N/A

ID: 259564

3-(3-methoxyphenyl)-2-oxopropanoic acid

$$$$ Data

M. F.

C10H10O4

Suppliers	Catalog Number
Enamine	EN300-43502

Database	Data ID
PubChem	290091

M. W.

194.184

CAS

Similarity

N/A

ID: 259565

N-(4-hydroxyphenyl)-2-(1H-pyrazol-1-yl)acetamide

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Enamine	EN300-43503

Database	Data ID
PubChem	28788954

M. W.

217.22394

CAS

Similarity

N/A

ID: 259566

1-(3-aminopropyl)-5-bromo-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C8H11BrN2O

Suppliers	Catalog Number
Enamine	EN300-43504

Database	Data ID
PubChem	24708479

M. W.

231.08974

CAS

Similarity

N/A

ID: 259567

4-(2,6-dimethoxyphenoxy)piperidine hydrochloride

$$$$ Data

M. F.

C13H20ClNO3

Suppliers	Catalog Number
Enamine	EN300-43505

Database	Data ID
PubChem	42948942

M. W.

273.7558

CAS

Similarity

N/A

ID: 259568

1-(3-chloropyridin-2-yl)piperidine-3-carboxylic acid

$$$$ Data

M. F.

C11H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-43506

Database	Data ID
PubChem	20120080

M. W.

240.68612

CAS

Similarity

N/A

ID: 259569

2-aminobutanenitrile hydrochloride

$$$$ Data

M. F.

C4H9ClN2

Suppliers	Catalog Number
Enamine	EN300-43508

Database	Data ID
PubChem	13352436

M. W.

120.58066

CAS

Similarity

N/A

ID: 259570

methyl 2-{[(4-chlorophenyl)methyl]amino}acetate hydrochloride

$$$$ Data

M. F.

C10H13Cl2NO2

Suppliers	Catalog Number
Enamine	EN300-43509

Database	Data ID
PubChem	21806347

M. W.

250.12172

CAS

Similarity

N/A

ID: 259571

2-bromo-5-isocyanatothiophene

$$$$ Data

M. F.

C5H2BrNOS

Suppliers	Catalog Number
Enamine	EN300-43510

Database	Data ID
PubChem	23333774

M. W.

204.04448

CAS

Similarity

N/A

ID: 259572

2-hydroxy-1H-indole-3-carbonitrile

$$$$ Data

M. F.

C9H6N2O

Suppliers	Catalog Number
Enamine	EN300-43511

Database	Data ID
PubChem	39871084

M. W.

158.15674

CAS

Similarity

N/A

ID: 259573

1-(oxolan-2-ylmethyl)-1H-pyrazol-4-amine

$$$$ Data

M. F.

C8H13N3O

Suppliers	Catalog Number
Enamine	EN300-43512

Database	Data ID
PubChem	43185727

M. W.

167.20832

CAS

Similarity

N/A

ID: 259574

2-fluoro-4-nitrobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C6H3ClFNO4S

Suppliers	Catalog Number
Enamine	EN300-43514

Database	Data ID
PubChem	45791429

M. W.

239.6087232

CAS

Similarity

N/A

ID: 259575

[2-(4-methoxyphenoxy)pyridin-4-yl]methanamine

$$$$ Data

M. F.

C13H14N2O2

Suppliers	Catalog Number
Enamine	EN300-43517

Database	Data ID
PubChem	16792952

M. W.

230.26246

CAS

Similarity

N/A

ID: 259576

2-(cyclohexyloxy)acetic acid

$$$$ Data

M. F.

C8H14O3

Suppliers	Catalog Number
Enamine	EN300-43518

Database	Data ID
PubChem	191994

M. W.

158.19496

CAS

71995-54-5

Similarity

N/A

ID: 259577

2-(4-methoxyphenyl)oxirane

$$$$ Data

M. F.

C9H10O2

Suppliers	Catalog Number
Enamine	EN300-43519

Database	Data ID
PubChem	98048

M. W.

150.1745

CAS

6388-72-3

Similarity

N/A

ID: 259578

[(2,5-difluorophenyl)methyl]hydrazine

$$$$ Data

M. F.

C7H8F2N2

Suppliers	Catalog Number
Enamine	EN300-43522

Database	Data ID
PubChem	24701219

M. W.

158.1486264

CAS

887595-45-1

Similarity

N/A

ID: 259579

bromomethanesulfonyl chloride

$$$$ Data

M. F.

CH2BrClO2S

Suppliers	Catalog Number
Enamine	EN300-43523

Database	Data ID
PubChem	12410822

M. W.

193.44738

CAS

Similarity

N/A

ID: 259580

1-(piperazin-1-yl)phthalazine

$$$$ Data

M. F.

C12H14N4

Suppliers	Catalog Number
Enamine	EN300-43524

Database	Data ID
PubChem	14581396

M. W.

214.26636

CAS

118306-90-4

Similarity

N/A

ID: 259581

4-[(3-fluorophenyl)methylidene]piperidine hydrochloride

$$$$ Data

M. F.

C12H15ClFN

Suppliers	Catalog Number
Enamine	EN300-43525

Database	Data ID
PubChem	21701717

M. W.

227.7056032

CAS

Similarity

N/A

ID: 259582

(E)-N'-hydroxy-2-(2-methylpiperidin-1-yl)ethenimidamide

$$$$ Data

M. F.

C8H17N3O

Suppliers	Catalog Number
Enamine	EN300-43533

Database	Data ID
PubChem	45791430

M. W.

171.24008

CAS

Similarity

N/A

ID: 259583

3-methyl-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]amino}butanoic acid dihydrochlori...

$$$$ Data

M. F.

C10H18Cl2N2O2S

Suppliers	Catalog Number
Enamine	EN300-43534

Database	Data ID
PubChem	42933719

M. W.

301.23312

CAS

Similarity

N/A

ID: 259584

[(E)-(pyridin-3-ylmethylidene)amino]urea

$$$$ Data

M. F.

C7H8N4O

Suppliers	Catalog Number
Enamine	EN300-43535

Database	Data ID
PubChem	9576646

M. W.

164.16462

CAS

Similarity

N/A

ID: 259585

N-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide

$$$$ Data

M. F.

C8H8N4O2S2

Suppliers	Catalog Number
Enamine	EN300-43537

Database	Data ID
PubChem	15131168

M. W.

256.30472

CAS

Similarity

N/A

ID: 259586

1-(E)-(1-aminoethylidene)amino 4-methyl benzene-1,4-dicarboxylate

$$$$ Data

M. F.

C11H12N2O4

Suppliers	Catalog Number
Enamine	EN300-43538

Database	Data ID
PubChem	42962702

M. W.

236.22398

CAS

Similarity

N/A

ID: 259587

5-(1,3,4-oxadiazol-2-yl)-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C7H5N3O2

Suppliers	Catalog Number
Enamine	EN300-43539

Database	Data ID
PubChem	42962703

M. W.

163.1335

CAS

Similarity

N/A

ID: 259588

3-amino-N-[(2Z)-1-methylpyrrolidin-2-ylidene]benzene-1-sulfonamide

$$$$ Data

M. F.

C11H15N3O2S

Suppliers	Catalog Number
Enamine	EN300-43541

Database	Data ID
PubChem	45791431

M. W.

253.3207

CAS

Similarity

N/A

ID: 259589

1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxylic acid

$$$$ Data

M. F.

C11H17N3O2

Suppliers	Catalog Number
Enamine	EN300-43542

Database	Data ID
PubChem	42961844

M. W.

223.27158

CAS

Similarity

N/A

ID: 259590

{3-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]propyl}(methyl)amine

$$$$ Data

M. F.

C14H18FN3

Suppliers	Catalog Number
Enamine	EN300-43543

Database	Data ID
PubChem	45791432

M. W.

247.3112232

CAS

Similarity

N/A

ID: 259591

1-[(2-chlorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

$$$$ Data

M. F.

C14H10ClN3O2

Suppliers	Catalog Number
Enamine	EN300-43544

Database	Data ID
PubChem	16779774

M. W.

287.7011

CAS

Similarity

N/A

ID: 259592

3-(4-methylphenyl)-2-oxopropanoic acid

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
Enamine	EN300-43547

Database	Data ID
PubChem	1810716

M. W.

178.1846

CAS

Similarity

N/A

ID: 259593

1-(4-iodophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C10H8IN3O2

Suppliers	Catalog Number
Enamine	EN300-43548

Database	Data ID
PubChem	16228698

M. W.

329.09389

CAS

Similarity

N/A

ID: 259594

methyl[phenyl(pyridin-2-yl)methyl]amine

$$$$ Data

M. F.

C13H14N2

Suppliers	Catalog Number
Enamine	EN300-43549

Database	Data ID
PubChem	16774134

M. W.

198.26366

CAS

Similarity

N/A

ID: 259595

7-chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran

$$$$ Data

M. F.

C10H11ClO

Suppliers	Catalog Number
Enamine	EN300-43550

Database	Data ID
PubChem	12379534

M. W.

182.64674

CAS

Similarity

N/A

ID: 259596

7-chloro-5-(chloromethyl)-2-methyl-2,3-dihydro-1-benzofuran

$$$$ Data

M. F.

C10H10Cl2O

Suppliers	Catalog Number
Enamine	EN300-43551

Database	Data ID
PubChem	45791433

M. W.

217.0918

CAS

Similarity

N/A

ID: 259597

7-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran

$$$$ Data

M. F.

C10H11BrO

Suppliers	Catalog Number
Enamine	EN300-43553
A&J Pharmtech	AJA-O19316

Database	Data ID
PubChem	272004

M. W.

227.09774

CAS

Similarity

N/A

ID: 259598

7-chloro-5-(chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran

$$$$ Data

M. F.

C11H12Cl2O

Suppliers	Catalog Number
Enamine	EN300-43554

Database	Data ID
PubChem	39869125

M. W.

231.11838

CAS

Similarity

N/A

ID: 259599

7-bromo-5-(chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran

$$$$ Data

M. F.

C11H12BrClO

Suppliers	Catalog Number
Enamine	EN300-43555

Database	Data ID
PubChem	39869126

M. W.

275.56938

CAS

Similarity

N/A

ID: 259600

(4-fluoro-2-methylphenyl)hydrazine hydrochloride

$$$$ Data

M. F.

C7H10ClFN2

Suppliers	Catalog Number
Enamine	EN300-43556

Database	Data ID
PubChem	47002129

M. W.

176.6191032

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