Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H12ClNO

Suppliers	Catalog Number
Matrix Scientific	033827

Database	Data ID
PubChem	6484654

M. W.

185.65068

CAS

50911-60-9

Similarity

N/A

ID: 31152

(7-methoxy-2H-1,3-benzodioxol-5-yl)methanamine hydrochloride

$$$$ Data

M. F.

C9H12ClNO3

Suppliers	Catalog Number
Matrix Scientific	033828

Database	Data ID
PubChem	46736481

M. W.

217.64948

CAS

Similarity

N/A

ID: 31153

1-cyclopentylpiperazin-2-one hydrochloride

$$$$ Data

M. F.

C9H17ClN2O

Suppliers	Catalog Number
Matrix Scientific	033829

Database	Data ID
PubChem	46736482

M. W.

204.69708

CAS

Similarity

N/A

ID: 31154

1-(1-ethyl-1H-indol-3-yl)propan-2-amine hydrochloride

$$$$ Data

M. F.

C13H19ClN2

Suppliers	Catalog Number
Matrix Scientific	033830

Database	Data ID
PubChem	16423995

M. W.

238.75636

CAS

Similarity

N/A

ID: 31155

2-methoxy-4-methylbenzaldehyde

$$$$ Data More

M. F.

C9H10O2

Suppliers	Catalog Number
ChemBridge	4004828
Matrix Scientific	033831
Enamine	EN300-110529

Database	Data ID
PubChem	6423793

M. W.

150.1745

CAS

57415-35-7

Similarity

N/A

ID: 31156

[2-amino-1-(2,5-dimethoxyphenyl)ethyl]dimethylamine dihydrochloride

$$$$ Data

M. F.

C12H22Cl2N2O2

Suppliers	Catalog Number
Matrix Scientific	033832

Database	Data ID
PubChem	46736483

M. W.

297.22128

CAS

Similarity

N/A

ID: 31157

4-methyl-3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

$$$$ Data

M. F.

C10H10N4O2

Suppliers	Catalog Number
Matrix Scientific	033833

Database	Data ID
PubChem	25777401

M. W.

218.212

CAS

Similarity

N/A

ID: 31158

3-sulfamoylbenzoic acid

$$$$ Data More

M. F.

C7H7NO4S

Suppliers	Catalog Number
ChemBridge	6681741
Matrix Scientific	033834
InterBioScreen	BB_SC-7818

Database	Data ID
PubChem	229352

M. W.

201.19978

CAS

636-76-0

Similarity

N/A

ID: 31159

4-propoxypiperidine

$$$$ Data

M. F.

C8H17NO

Suppliers	Catalog Number
Alfa Aesar	H50976
Matrix Scientific	033835
A&J Pharmtech	AJA-O30804

Database	Data ID
PubChem	11492037

M. W.

143.22668

CAS

88536-11-2

Similarity

N/A

ID: 31160

1-{[3-(aminomethyl)phenyl]methyl}pyrrolidin-2-one

$$$$ Data

M. F.

C12H16N2O

Suppliers	Catalog Number
Matrix Scientific	033836
Enamine	EN300-39060

Database	Data ID
PubChem	16791545

M. W.

204.26824

CAS

Similarity

N/A

ID: 31161

2-(2-methoxyphenyl)benzaldehyde

$$$$ Data

M. F.

C14H12O2

Suppliers	Catalog Number
Matrix Scientific	033837
Apollo Scientific	OR7452

Database	Data ID
PubChem	602528

M. W.

212.24388

CAS

Similarity

N/A

ID: 31162

2-(2-ethoxyphenyl)aniline

$$$$ Data

M. F.

C14H15NO

Suppliers	Catalog Number
Matrix Scientific	033838

Database	Data ID
PubChem	18524064

M. W.

213.275

CAS

Similarity

N/A

ID: 31163

1-(2-aminoethoxy)-4-(propan-2-yl)benzene

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
ChemBridge	3002253
Matrix Scientific	033839

Database	Data ID
PubChem	6484674

M. W.

179.25878

CAS

878433-18-2

Similarity

N/A

ID: 31164

4-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine hydrochloride

$$$$ Data

M. F.

C8H10ClN3S

Suppliers	Catalog Number
Sigma Aldrich	CBR00838
Matrix Scientific	033840

Database	Data ID
PubChem	46736484

M. W.

215.7031

CAS

Similarity

N/A

ID: 31165

2-benzylcyclohexan-1-amine hydrochloride

$$$$ Data

M. F.

C13H20ClN

Suppliers	Catalog Number
Matrix Scientific	033841

Database	Data ID
PubChem	46736485

M. W.

225.7576

CAS

Similarity

N/A

ID: 31166

4-(2-methoxyphenyl)aniline

$$$$ Data

M. F.

C13H13NO

Suppliers	Catalog Number
ChemBridge	4102409
Matrix Scientific	033842

Database	Data ID
PubChem	2759559

M. W.

199.24842

CAS

263901-48-0

Similarity

N/A

ID: 31167

3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methylbenzoic acid

$$$$ Data

M. F.

C13H14N2O2

Suppliers	Catalog Number
Matrix Scientific	033843

Database	Data ID
PubChem	6484679

M. W.

230.26246

CAS

Similarity

N/A

ID: 31168

3-(2-methyl-1H-1,3-benzodiazol-5-yl)propanoic acid hydrochloride

$$$$ Data

M. F.

C11H13ClN2O2

Suppliers	Catalog Number
Matrix Scientific	033844

Database	Data ID
PubChem	45361805

M. W.

240.68612

CAS

Similarity

N/A

ID: 31169

2-hydrazinyl-4,5-dimethyl-1,3-thiazole hydrochloride

$$$$ Data

M. F.

C5H10ClN3S

Suppliers	Catalog Number
Matrix Scientific	033845

Database	Data ID
PubChem	46736486

M. W.

179.671

CAS

124285-37-6

Similarity

N/A

ID: 31170

2-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol

$$$$ Data

M. F.

C8H14N2O

Suppliers	Catalog Number
ChemBridge	4016593
Matrix Scientific	033846
Enamine	EN300-113901

Database	Data ID
PubChem	23005918

M. W.

154.20956

CAS

1007462-48-7

Similarity

N/A

ID: 31171

dimethyl[2-(piperazin-1-yl)ethyl]amine

$$$$ Data

M. F.

C8H19N3

Suppliers	Catalog Number
Sigma Aldrich	74328
Matrix Scientific	033847
Apollo Scientific	OR6907

Database	Data ID
PubChem	2736229

M. W.

157.25656

CAS

3644-18-6

Similarity

N/A

ID: 31172

5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
ChemBridge	4016186
Matrix Scientific	033848

Database	Data ID
PubChem	6484683

M. W.

175.18726

CAS

878414-63-2

Similarity

N/A

ID: 31173

2-chloro-N-(2,4,6-trimethylphenyl)acetamide

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Matrix Scientific	033849
Enamine	EN300-01574

Database	Data ID
PubChem	2305635

M. W.

211.68796

CAS

3910-51-8

Similarity

N/A

ID: 31174

2-chloro-N-[(3-methoxyphenyl)methyl]acetamide

$$$$ Data

M. F.

C10H12ClNO2

Suppliers	Catalog Number
Matrix Scientific	033850
Life Chemicals	F2158-1318
Enamine	EN300-17883

Database	Data ID
PubChem	4839545

M. W.

213.66078

CAS

40023-02-7

Similarity

N/A

ID: 31175

1-(1-ethyl-1H-1,3-benzodiazol-2-yl)piperidine-3-carboxylic acid

$$$$ Data

M. F.

C15H19N3O2

Suppliers	Catalog Number
Matrix Scientific	033851

Database	Data ID
PubChem	18524755

M. W.

273.33026

CAS

Similarity

N/A

ID: 31176

2-chloro-5-(morpholin-4-yl)benzoic acid

$$$$ Data

M. F.

C11H12ClNO3

Suppliers	Catalog Number
Matrix Scientific	033852
InterBioScreen	BB_SC-7540

Database	Data ID
PubChem	23010252

M. W.

241.67088

CAS

Similarity

N/A

ID: 31177

4-methyl-3-(piperidin-1-yl)benzoic acid

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Matrix Scientific	033853

Database	Data ID
PubChem	7148440

M. W.

219.27958

CAS

Similarity

N/A

ID: 31178

2-chloro-5-(1H-pyrrol-1-yl)aniline

$$$$ Data

M. F.

C10H9ClN2

Suppliers	Catalog Number
Matrix Scientific	033854
InterBioScreen	BB_SC-4699

Database	Data ID
PubChem	6493429

M. W.

192.64486

CAS

Similarity

N/A

ID: 31179

2-methyl-3-(piperidin-1-yl)benzoic acid

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Matrix Scientific	033855

Database	Data ID
PubChem	7148436

M. W.

219.27958

CAS

Similarity

N/A

ID: 31180

4-chloro-3-(pyrrolidin-1-yl)benzoic acid

$$$$ Data

M. F.

C11H12ClNO2

Suppliers	Catalog Number
Matrix Scientific	033856

Database	Data ID
PubChem	7148434

M. W.

225.67148

CAS

Similarity

N/A

ID: 31181

4-chloro-3-(morpholin-4-yl)benzoic acid

$$$$ Data

M. F.

C11H12ClNO3

Suppliers	Catalog Number
Matrix Scientific	033857

Database	Data ID
PubChem	7148428

M. W.

241.67088

CAS

Similarity

N/A

ID: 31182

2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

$$$$ Data

M. F.

C11H8ClFN2OS

Suppliers	Catalog Number
Matrix Scientific	033858
Enamine	EN300-02041

Database	Data ID
PubChem	1133114

M. W.

270.7104232

CAS

83558-09-2

Similarity

N/A

ID: 31183

2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

$$$$ Data

M. F.

C12H11ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	033859
Enamine	EN300-01956

Database	Data ID
PubChem	920003

M. W.

282.74594

CAS

6202-74-0

Similarity

N/A

ID: 31184

3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoic acid

$$$$ Data

M. F.

C9H13N3O2

Suppliers	Catalog Number
Matrix Scientific	033860
InterBioScreen	BB_NC-2117

Database	Data ID
PubChem	735547

M. W.

195.21842

CAS

Similarity

N/A

ID: 31185

2-[(4,6-dimethylpyrimidin-2-yl)amino]propanoic acid

$$$$ Data

M. F.

C9H13N3O2

Suppliers	Catalog Number
Matrix Scientific	033861

Database	Data ID
PubChem	3276675

M. W.

195.21842

CAS

Similarity

N/A

ID: 31186

4,6-dichloro-N-ethylpyrimidin-2-amine

$$$$ Data

M. F.

C6H7Cl2N3

Suppliers	Catalog Number
Matrix Scientific	033862
A&J Pharmtech	AJA-O3050

Database	Data ID
PubChem	6493735

M. W.

192.04588

CAS

10371-48-9

Similarity

N/A

ID: 31187

1,2-dimethyl-1H-indol-5-amine

$$$$ Data

M. F.

C10H12N2

Suppliers	Catalog Number
ChemBridge	4006416
Matrix Scientific	033863

Database	Data ID
PubChem	6484710

M. W.

160.21568

CAS

7570-48-1

Similarity

N/A

ID: 31188

1-ethyl-2-methyl-1H-indol-5-amine

$$$$ Data

M. F.

C11H14N2

Suppliers	Catalog Number
ChemBridge	4027311
Matrix Scientific	033864

Database	Data ID
PubChem	6493743

M. W.

174.24226

CAS

878733-38-1

Similarity

N/A

ID: 31189

1-benzyl-2-methyl-1H-indol-5-amine

$$$$ Data

M. F.

C16H16N2

Suppliers	Catalog Number
Matrix Scientific	033865

Database	Data ID
PubChem	6493744

M. W.

236.31164

CAS

Similarity

N/A

ID: 31190

1-[2-(2-methoxyphenoxy)ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C16H19NO3

Suppliers	Catalog Number
Matrix Scientific	033866

Database	Data ID
PubChem	6493746

M. W.

273.32696

CAS

Similarity

N/A

ID: 31191

4-[2-(piperidin-1-yl)ethoxy]aniline

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Matrix Scientific	033867
Life Chemicals	F2169-0796
Enamine	EN300-112257

Database	Data ID
PubChem	3016025

M. W.

220.3107

CAS

Similarity

N/A

ID: 31192

4-[2-(4-methylpiperidin-1-yl)ethoxy]aniline

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
Matrix Scientific	033868

Database	Data ID
PubChem	6493748

M. W.

234.33728

CAS

Similarity

N/A

ID: 31193

4-[2-(pyrrolidin-1-yl)ethoxy]aniline

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Matrix Scientific	033869
A&J Pharmtech	AJA-O9439

Database	Data ID
PubChem	6493749

M. W.

206.28412

CAS

50609-01-3

Similarity

N/A

ID: 31194

4-[2-(azepan-1-yl)ethoxy]aniline

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
ChemBridge	9007611
Matrix Scientific	033870

Database	Data ID
PubChem	6493750

M. W.

234.33728

CAS

869948-07-2

Similarity

N/A

ID: 31195

2-[2-(4-methylpiperidin-1-yl)ethoxy]aniline

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
Matrix Scientific	033871

Database	Data ID
PubChem	6493753

M. W.

234.33728

CAS

Similarity

N/A

ID: 31196

2-[2-(pyrrolidin-1-yl)ethoxy]aniline

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Matrix Scientific	033872

Database	Data ID
PubChem	6493754

M. W.

206.28412

CAS

Similarity

N/A

ID: 31197

1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine

$$$$ Data

M. F.

C13H19N

Suppliers	Catalog Number
Matrix Scientific	033873

Database	Data ID
PubChem	6493756

M. W.

189.29666

CAS

Similarity

N/A

ID: 31198

4-ethyl-5-methyl-1,3-thiazol-2-amine hydrobromide

$$$$ Data

M. F.

C6H11BrN2S

Suppliers	Catalog Number
Matrix Scientific	033874
Enamine	EN300-42038

Database	Data ID
PubChem	42937515

M. W.

223.13394

CAS

Similarity

N/A

ID: 31199

4-(4-ethoxy-3,5-dimethylphenyl)butanoic acid

$$$$ Data

M. F.

C14H20O3

Suppliers	Catalog Number
Matrix Scientific	033875

Database	Data ID
PubChem	25777494

M. W.

236.3068

CAS

Similarity

N/A

ID: 31200

3-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

$$$$ Data

M. F.

C11H11N5S

Suppliers	Catalog Number
Matrix Scientific	033876
InterBioScreen	BB_SC-3372

Database	Data ID
PubChem	2988952

M. W.

245.30354

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