Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
ChemBridge	4041125
Enamine	EN300-66149

Database	Data ID
PubChem	43498381

M. W.

115.17352

CAS

1018614-41-9

Similarity

N/A

ID: 268902

(1R,2R)-2-(1H-pyrazol-1-yl)cyclopentan-1-ol

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Enamine	EN300-66151

Database	Data ID
PubChem	50990000

M. W.

152.19368

CAS

Similarity

N/A

ID: 268903

N-cyclohexyl-N-ethylaminosulfonamide

$$$$ Data

M. F.

C8H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-66152

Database	Data ID
PubChem	43132033

M. W.

206.30572

CAS

Similarity

N/A

ID: 268904

4-chloro-2-acetamidobenzoic acid

$$$$ Data

M. F.

C9H8ClNO3

Suppliers	Catalog Number
Enamine	EN300-66153

Database	Data ID
PubChem	239963

M. W.

213.61772

CAS

Similarity

N/A

ID: 268905

(2E)-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid

$$$$ Data

M. F.

C17H19NO3

Suppliers	Catalog Number
Enamine	EN300-66154

Database	Data ID
PubChem	16769082

M. W.

285.33766

CAS

Similarity

N/A

ID: 268906

thiophene-3,4-diamine

$$$$ Data

M. F.

C4H6N2S

Suppliers	Catalog Number
Enamine	EN300-66155

Database	Data ID
PubChem	643216

M. W.

114.16884

CAS

Similarity

N/A

ID: 268907

4-(propan-2-yl)benzene-1-carboximidamide hydrochloride

$$$$ Data

M. F.

C10H15ClN2

Suppliers	Catalog Number
Enamine	EN300-66156

Database	Data ID
PubChem	50988078

M. W.

198.6925

CAS

Similarity

N/A

ID: 268908

4-(thiomorpholin-4-ylmethyl)aniline

$$$$ Data

M. F.

C11H16N2S

Suppliers	Catalog Number
Enamine	EN300-66157

Database	Data ID
PubChem	11401532

M. W.

208.32314

CAS

Similarity

N/A

ID: 268909

5-(piperidin-1-yl)-4H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C7H13N5

Suppliers	Catalog Number
Enamine	EN300-66158

Database	Data ID
PubChem	13789692

M. W.

167.21162

CAS

Similarity

N/A

ID: 268910

2-{[(pyridin-3-ylmethyl)carbamoyl]methoxy}acetic acid

$$$$ Data

M. F.

C10H12N2O4

Suppliers	Catalog Number
Enamine	EN300-66159

Database	Data ID
PubChem	3643287

M. W.

224.21328

CAS

Similarity

N/A

ID: 268911

N-(3,5-difluorophenyl)-2-(methylamino)acetamide hydrochloride

$$$$ Data

M. F.

C9H11ClF2N2O

Suppliers	Catalog Number
Enamine	EN300-66161

Database	Data ID
PubChem	50988525

M. W.

236.6462464

CAS

Similarity

N/A

ID: 268912

3-(3-methoxyphenyl)propan-1-amine hydrochloride

$$$$ Data

M. F.

C10H16ClNO

Suppliers	Catalog Number
Enamine	EN300-66162

Database	Data ID
PubChem	3029808

M. W.

201.69314

CAS

Similarity

N/A

ID: 268913

2-[(pyridin-4-yl)amino]ethan-1-ol

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Enamine	EN300-66163

Database	Data ID
PubChem	17750368

M. W.

138.1671

CAS

Similarity

N/A

ID: 268914

N-(piperidin-4-yl)cyclobutanecarboxamide

$$$$ Data

M. F.

C10H18N2O

Suppliers	Catalog Number
Enamine	EN300-66164

Database	Data ID
PubChem	3554079

M. W.

182.26272

CAS

Similarity

N/A

ID: 268915

5-(4-methanesulfonylphenoxymethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C13H12O6S

Suppliers	Catalog Number
Enamine	EN300-66165

Database	Data ID
PubChem	43806772

M. W.

296.29578

CAS

Similarity

N/A

ID: 268916

2-amino-2-(naphthalen-1-yl)ethan-1-ol hydrochloride

$$$$ Data

M. F.

C12H14ClNO

Suppliers	Catalog Number
Enamine	EN300-66166

Database	Data ID
PubChem	50988651

M. W.

223.69866

CAS

Similarity

N/A

ID: 268917

5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C8H7ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-66167

Database	Data ID
PubChem	299305

M. W.

230.67138

CAS

Similarity

N/A

ID: 268918

5-(5-bromothiophen-2-yl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C8H7BrN2O2S

Suppliers	Catalog Number
Enamine	EN300-66168

Database	Data ID
PubChem	50987607

M. W.

275.12238

CAS

Similarity

N/A

ID: 268919

2-bromo-4-iodoaniline

$$$$ Data

M. F.

C6H5BrIN

Suppliers	Catalog Number
Enamine	EN300-66170
A&J Pharmtech	AJA-O9422

Database	Data ID
PubChem	15467084

M. W.

297.91907

CAS

29632-73-3

Similarity

N/A

ID: 268920

2-bromo-5-iodoaniline

$$$$ Data

M. F.

C6H5BrIN

Suppliers	Catalog Number
Enamine	EN300-66171

Database	Data ID
PubChem	44550177

M. W.

297.91907

CAS

Similarity

N/A

ID: 268921

3-bromo-2-iodoaniline

$$$$ Data

M. F.

C6H5BrIN

Suppliers	Catalog Number
Enamine	EN300-66172

Database	Data ID
PubChem	14974982

M. W.

297.91907

CAS

Similarity

N/A

ID: 268922

3-bromo-4-iodoaniline

$$$$ Data

M. F.

C6H5BrIN

Suppliers	Catalog Number
Enamine	EN300-66173

Database	Data ID
PubChem	20543543

M. W.

297.91907

CAS

Similarity

N/A

ID: 268923

4-bromo-3-iodoaniline

$$$$ Data

M. F.

C6H5BrIN

Suppliers	Catalog Number
Enamine	EN300-66174

Database	Data ID
PubChem	14548337

M. W.

297.91907

CAS

Similarity

N/A

ID: 268924

(2-aminoethyl)(butan-2-yl)methylamine

$$$$ Data

M. F.

C7H18N2

Suppliers	Catalog Number
Enamine	EN300-66178

Database	Data ID
PubChem	43272632

M. W.

130.23122

CAS

Similarity

N/A

ID: 268925

3-[3-(cyclopentyloxy)phenyl]prop-2-enoic acid

$$$$ Data

M. F.

C14H16O3

Suppliers	Catalog Number
Enamine	EN300-66180

Database	Data ID
PubChem	43147785

M. W.

232.27504

CAS

Similarity

N/A

ID: 268926

3-[3-(cyclopentyloxy)phenyl]propanoic acid

$$$$ Data

M. F.

C14H18O3

Suppliers	Catalog Number
Enamine	EN300-66181

Database	Data ID
PubChem	50990557

M. W.

234.29092

CAS

Similarity

N/A

ID: 268927

3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}propan-1-amine

$$$$ Data

M. F.

C10H18N4

Suppliers	Catalog Number
Enamine	EN300-66195

Database	Data ID
PubChem	43142833

M. W.

194.27672

CAS

Similarity

N/A

ID: 268928

5-amino-2-methylbenzamide

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Enamine	EN300-66196

Database	Data ID
PubChem	20144608

M. W.

150.1778

CAS

Similarity

N/A

ID: 268929

1-phenyl-1,3-diazinane-2,4-dione

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Enamine	EN300-66200

Database	Data ID
PubChem	638639

M. W.

190.1986

CAS

Similarity

N/A

ID: 268930

3-(naphthalen-2-yl)-1H-1,2,4-triazol-5-amine

$$$$ Data

M. F.

C12H10N4

Suppliers	Catalog Number
Enamine	EN300-66203

Database	Data ID
PubChem	3297261

M. W.

210.2346

CAS

Similarity

N/A

ID: 268931

methyl 2-(chlorosulfonyl)-4-fluorobenzoate

$$$$ Data

M. F.

C8H6ClFO4S

Suppliers	Catalog Number
Enamine	EN300-66204

Database	Data ID
PubChem	43523685

M. W.

252.6472432

CAS

Similarity

N/A

ID: 268932

methyl 4-amino-3-chlorobenzoate hydrochloride

$$$$ Data

M. F.

C8H9Cl2NO2

Suppliers	Catalog Number
Enamine	EN300-66205

Database	Data ID
PubChem	50988566

M. W.

222.06856

CAS

Similarity

N/A

ID: 268933

phenyl(pyridin-3-yl)methanol

$$$$ Data

M. F.

C12H11NO

Suppliers	Catalog Number
Enamine	EN300-66208

Database	Data ID
PubChem	234839

M. W.

185.22184

CAS

Similarity

N/A

ID: 268934

2-(3-chloro-4-fluorophenyl)morpholine

$$$$ Data

M. F.

C10H11ClFNO

Suppliers	Catalog Number
Enamine	EN300-66209

Database	Data ID
PubChem	43350788

M. W.

215.6518432

CAS

Similarity

N/A

ID: 268935

2,3-dihydro-1-benzofuran-5-thiol

$$$$ Data

M. F.

C8H8OS

Suppliers	Catalog Number
Enamine	EN300-66210

Database	Data ID
PubChem	21618508

M. W.

152.21352

CAS

Similarity

N/A

ID: 268936

tert-butyl N-(5-aminopyridin-2-yl)carbamate

$$$$ Data

M. F.

C10H15N3O2

Suppliers	Catalog Number
Enamine	EN300-66215
Bide Pharmatech	BD167887

Database	Data ID
PubChem	22064440

M. W.

209.245

CAS

220731-04-4

Similarity

N/A

ID: 268937

6-(methylsulfanyl)pyridin-3-amine

$$$$ Data

M. F.

C6H8N2S

Suppliers	Catalog Number
Enamine	EN300-66217

Database	Data ID
PubChem	10261179

M. W.

140.20612

CAS

Similarity

N/A

ID: 268938

2-[(4-cyanophenyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C10H9NO2S

Suppliers	Catalog Number
Enamine	EN300-66218

Database	Data ID
PubChem	43188327

M. W.

207.24896

CAS

Similarity

N/A

ID: 268939

3-(chloromethyl)-N-(2-methylpropyl)benzamide

$$$$ Data

M. F.

C12H16ClNO

Suppliers	Catalog Number
Enamine	EN300-66219

Database	Data ID
PubChem	43156233

M. W.

225.71454

CAS

Similarity

N/A

ID: 268940

1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C13H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-66220

Database	Data ID
PubChem	16789829

M. W.

262.32746

CAS

Similarity

N/A

ID: 268941

6-chloro-N-methylpyridine-3-sulfonamide

$$$$ Data

M. F.

C6H7ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-66221

Database	Data ID
PubChem	902063

M. W.

206.64998

CAS

Similarity

N/A

ID: 268942

6-fluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one

$$$$ Data

M. F.

C8H6FNO2

Suppliers	Catalog Number
Enamine	EN300-66222

Database	Data ID
PubChem	574175

M. W.

167.1371432

CAS

Similarity

N/A

ID: 268943

2,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrrole

$$$$ Data

M. F.

C9H11N

Suppliers	Catalog Number
Enamine	EN300-66223

Database	Data ID
PubChem	12894288

M. W.

133.19034

CAS

Similarity

N/A

ID: 268944

(1-phenylcycloheptyl)methanamine

$$$$ Data

M. F.

C14H21N

Suppliers	Catalog Number
Enamine	EN300-66224

Database	Data ID
PubChem	28937842

M. W.

203.32324

CAS

Similarity

N/A

ID: 268945

2-{[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]methoxy}acetic acid

$$$$ Data

M. F.

C9H15NO6

Suppliers	Catalog Number
Enamine	EN300-66225

Database	Data ID
PubChem	50987990

M. W.

233.2185

CAS

Similarity

N/A

ID: 268946

4-(ethenesulfonyl)-2-(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C10H6F3NO2S

Suppliers	Catalog Number
Enamine	EN300-66227

Database	Data ID
PubChem	43446411

M. W.

261.2203496

CAS

Similarity

N/A

ID: 268947

methyl 2-amino-2-phenylpropanoate hydrochloride

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-66228

Database	Data ID
PubChem	19885602

M. W.

215.67666

CAS

Similarity

N/A

ID: 268948

3-(cyclohexylformamido)butanoic acid

$$$$ Data

M. F.

C11H19NO3

Suppliers	Catalog Number
Enamine	EN300-66229

Database	Data ID
PubChem	43092437

M. W.

213.27346

CAS

Similarity

N/A

ID: 268949

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoic acid

$$$$ Data

M. F.

C15H9ClN2O3

Suppliers	Catalog Number
Enamine	EN300-66231

Database	Data ID
PubChem	24178329

M. W.

300.69656

CAS

Similarity

N/A

ID: 268950

2,2,2-trifluoro-1-phenylethan-1-imine

$$$$ Data

M. F.

C8H6F3N

Suppliers	Catalog Number
Enamine	EN300-66236

Database	Data ID
PubChem	12219781

M. W.

173.1351496

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