Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-45032

Database	Data ID
PubChem	43143373

M. W.

201.22124

CAS

Similarity

N/A

ID: 260202

N-(5-bromopyridin-2-yl)piperidine-3-carboxamide

$$$$ Data

M. F.

C11H14BrN3O

Suppliers	Catalog Number
Enamine	EN300-45033

Database	Data ID
PubChem	43114372

M. W.

284.15236

CAS

Similarity

N/A

ID: 260203

N-(5-chloropyridin-2-yl)piperidine-3-carboxamide

$$$$ Data

M. F.

C11H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-45034

Database	Data ID
PubChem	43114377

M. W.

239.70136

CAS

Similarity

N/A

ID: 260204

N-(5-chloropyridin-2-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C11H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-45035

Database	Data ID
PubChem	43114378

M. W.

239.70136

CAS

Similarity

N/A

ID: 260205

N-(5-bromopyridin-2-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C11H14BrN3O

Suppliers	Catalog Number
Enamine	EN300-45036

Database	Data ID
PubChem	43114373

M. W.

284.15236

CAS

Similarity

N/A

ID: 260206

2-(2-aminoethyl)phenol hydrochloride

$$$$ Data

M. F.

C8H12ClNO

Suppliers	Catalog Number
Enamine	EN300-45037

Database	Data ID
PubChem	199864

M. W.

173.63998

CAS

5136-97-0

Similarity

N/A

ID: 260207

1-(2,6-difluorophenyl)propan-2-amine hydrochloride

$$$$ Data

M. F.

C9H12ClF2N

Suppliers	Catalog Number
Enamine	EN300-45039

Database	Data ID
PubChem	45791521

M. W.

207.6480864

CAS

Similarity

N/A

ID: 260208

4-(5-amino-2-fluorophenyl)-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C10H13FN2O2S

Suppliers	Catalog Number
Enamine	EN300-45040

Database	Data ID
PubChem	43164158

M. W.

244.2858232

CAS

Similarity

N/A

ID: 260209

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

$$$$ Data

M. F.

C8H12BrClN2O

Suppliers	Catalog Number
Enamine	EN300-45041

Database	Data ID
PubChem	45791522

M. W.

267.55068

CAS

Similarity

N/A

ID: 260210

8-hydroxyquinoline-7-carboxylic acid

$$$$ Data

M. F.

C10H7NO3

Suppliers	Catalog Number
Enamine	EN300-45043

Database	Data ID
PubChem	231363

M. W.

189.16748

CAS

Similarity

N/A

ID: 260211

2-(3,4-dichlorophenyl)pyrrolidine

$$$$ Data

M. F.

C10H11Cl2N

Suppliers	Catalog Number
Enamine	EN300-45044

Database	Data ID
PubChem	3446731

M. W.

216.10704

CAS

298690-82-1

Similarity

N/A

ID: 260212

4,4,4-trifluoro-3-oxobutanenitrile

$$$$ Data

M. F.

C4H2F3NO

Suppliers	Catalog Number
Enamine	EN300-45046
A&J Pharmtech	AJA-O2064

Database	Data ID
PubChem	13843540

M. W.

137.0599896

CAS

110234-68-9

Similarity

N/A

ID: 260213

1-N,4-dimethylbenzene-1,2-diamine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
Enamine	EN300-45050

Database	Data ID
PubChem	12198272

M. W.

136.19428

CAS

Similarity

N/A

ID: 260214

1-N-ethyl-4-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C9H14N2

Suppliers	Catalog Number
Enamine	EN300-45051

Database	Data ID
PubChem	14243606

M. W.

150.22086

CAS

Similarity

N/A

ID: 260215

4-methyl-1-N-propylbenzene-1,2-diamine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
Enamine	EN300-45052

Database	Data ID
PubChem	43349413

M. W.

164.24744

CAS

Similarity

N/A

ID: 260216

4-methyl-1-N-(propan-2-yl)benzene-1,2-diamine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
Enamine	EN300-45053

Database	Data ID
PubChem	43349414

M. W.

164.24744

CAS

Similarity

N/A

ID: 260217

4-fluoro-1-N-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C7H9FN2

Suppliers	Catalog Number
Enamine	EN300-45056

Database	Data ID
PubChem	19964813

M. W.

140.1581632

CAS

Similarity

N/A

ID: 260218

1-N-ethyl-4-fluorobenzene-1,2-diamine

$$$$ Data

M. F.

C8H11FN2

Suppliers	Catalog Number
Enamine	EN300-45057

Database	Data ID
PubChem	21286303

M. W.

154.1847432

CAS

Similarity

N/A

ID: 260219

4-fluoro-1-N-propylbenzene-1,2-diamine

$$$$ Data

M. F.

C9H13FN2

Suppliers	Catalog Number
Enamine	EN300-45058

Database	Data ID
PubChem	10749621

M. W.

168.2113232

CAS

Similarity

N/A

ID: 260220

4-fluoro-1-N-(propan-2-yl)benzene-1,2-diamine

$$$$ Data

M. F.

C9H13FN2

Suppliers	Catalog Number
Enamine	EN300-45059

Database	Data ID
PubChem	10511309

M. W.

168.2113232

CAS

Similarity

N/A

ID: 260221

1-N-cyclopropyl-4-fluorobenzene-1,2-diamine

$$$$ Data

M. F.

C9H11FN2

Suppliers	Catalog Number
Enamine	EN300-45060

Database	Data ID
PubChem	17609632

M. W.

166.1954432

CAS

Similarity

N/A

ID: 260222

4-chloro-1-N-propylbenzene-1,2-diamine

$$$$ Data

M. F.

C9H13ClN2

Suppliers	Catalog Number
Enamine	EN300-45062

Database	Data ID
PubChem	28902199

M. W.

184.66592

CAS

Similarity

N/A

ID: 260223

4-chloro-1-N-cyclopropylbenzene-1,2-diamine

$$$$ Data

M. F.

C9H11ClN2

Suppliers	Catalog Number
Enamine	EN300-45064

Database	Data ID
PubChem	33788637

M. W.

182.65004

CAS

Similarity

N/A

ID: 260224

4-bromo-1-N-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C7H9BrN2

Suppliers	Catalog Number
Enamine	EN300-45067

Database	Data ID
PubChem	11298593

M. W.

201.06376

CAS

Similarity

N/A

ID: 260225

4-bromo-1-N-ethylbenzene-1,2-diamine

$$$$ Data

M. F.

C8H11BrN2

Suppliers	Catalog Number
Enamine	EN300-45068

Database	Data ID
PubChem	11816737

M. W.

215.09034

CAS

Similarity

N/A

ID: 260226

4-bromo-1-N-(propan-2-yl)benzene-1,2-diamine

$$$$ Data

M. F.

C9H13BrN2

Suppliers	Catalog Number
Enamine	EN300-45070

Database	Data ID
PubChem	33785146

M. W.

229.11692

CAS

Similarity

N/A

ID: 260227

4-bromo-1-N-cyclopropylbenzene-1,2-diamine

$$$$ Data

M. F.

C9H11BrN2

Suppliers	Catalog Number
Enamine	EN300-45071

Database	Data ID
PubChem	33784642

M. W.

227.10104

CAS

Similarity

N/A

ID: 260228

3-fluoro-1-N-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C7H9FN2

Suppliers	Catalog Number
Enamine	EN300-45073

Database	Data ID
PubChem	54023234

M. W.

140.1581632

CAS

Similarity

N/A

ID: 260229

1-N-ethyl-3-fluorobenzene-1,2-diamine

$$$$ Data

M. F.

C8H11FN2

Suppliers	Catalog Number
Enamine	EN300-45074

Database	Data ID
PubChem	50987977

M. W.

154.1847432

CAS

Similarity

N/A

ID: 260230

3-fluoro-1-N-propylbenzene-1,2-diamine

$$$$ Data

M. F.

C9H13FN2

Suppliers	Catalog Number
Enamine	EN300-45075

Database	Data ID
PubChem	54592445

M. W.

168.2113232

CAS

Similarity

N/A

ID: 260231

3-fluoro-1-N-(propan-2-yl)benzene-1,2-diamine

$$$$ Data

M. F.

C9H13FN2

Suppliers	Catalog Number
Enamine	EN300-45076

Database	Data ID
PubChem	60783151

M. W.

168.2113232

CAS

Similarity

N/A

ID: 260232

1-N-cyclopropyl-3-fluorobenzene-1,2-diamine

$$$$ Data

M. F.

C9H11FN2

Suppliers	Catalog Number
Enamine	EN300-45077

Database	Data ID
PubChem	50989650

M. W.

166.1954432

CAS

Similarity

N/A

ID: 260233

6-chloro-1-N-ethylbenzene-1,2-diamine

$$$$ Data

M. F.

C8H11ClN2

Suppliers	Catalog Number
Enamine	EN300-45080

Database	Data ID
PubChem	28902383

M. W.

170.63934

CAS

Similarity

N/A

ID: 260234

6-chloro-1-N-(propan-2-yl)benzene-1,2-diamine

$$$$ Data

M. F.

C9H13ClN2

Suppliers	Catalog Number
Enamine	EN300-45082

Database	Data ID
PubChem	10702658

M. W.

184.66592

CAS

Similarity

N/A

ID: 260235

6-chloro-1-N-cyclopropylbenzene-1,2-diamine

$$$$ Data

M. F.

C9H11ClN2

Suppliers	Catalog Number
Enamine	EN300-45083

Database	Data ID
PubChem	33788639

M. W.

182.65004

CAS

Similarity

N/A

ID: 260236

1-[4-(trifluoromethoxy)benzenesulfonyl]piperazine hydrochloride

$$$$ Data

M. F.

C11H14ClF3N2O3S

Suppliers	Catalog Number
Enamine	EN300-45084

Database	Data ID
PubChem	45791524

M. W.

346.7536696

CAS

Similarity

N/A

ID: 260237

methyl 4-amino-2-[(furan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C10H11N3O3S

Suppliers	Catalog Number
Enamine	EN300-45087

Database	Data ID
PubChem	45791525

M. W.

253.27764

CAS

Similarity

N/A

ID: 260238

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

$$$$ Data

M. F.

C3H6N4O2S2

Suppliers	Catalog Number
Enamine	EN300-45088

Database	Data ID
PubChem	45791526

M. W.

194.23534

CAS

Similarity

N/A

ID: 260239

2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine

$$$$ Data

M. F.

C8H8N4

Suppliers	Catalog Number
Enamine	EN300-45089

Database	Data ID
PubChem	12787364

M. W.

160.17592

CAS

Similarity

N/A

ID: 260240

2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methylaniline

$$$$ Data

M. F.

C12H14N4

Suppliers	Catalog Number
Enamine	EN300-45090

Database	Data ID
PubChem	45791527

M. W.

214.26636

CAS

Similarity

N/A

ID: 260241

3-[3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

$$$$ Data

M. F.

C9H8N4O3

Suppliers	Catalog Number
Enamine	EN300-45091

Database	Data ID
PubChem	43622183

M. W.

220.18482

CAS

Similarity

N/A

ID: 260242

3-(2-methylphenyl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Enamine	EN300-45093

Database	Data ID
PubChem	3772690

M. W.

174.1992

CAS

86685-96-3

Similarity

N/A

ID: 260243

3-phenylpropanamide

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Enamine	EN300-45094

Database	Data ID
PubChem	7625

M. W.

149.18974

CAS

102-93-2

Similarity

N/A

ID: 260244

ethyl 2-{[(2,2,2-trifluoroethoxy)carbonyl]amino}acetate

$$$$ Data

M. F.

C7H10F3NO4

Suppliers	Catalog Number
Enamine	EN300-45096

Database	Data ID
PubChem	45791528

M. W.

229.1538096

CAS

Similarity

N/A

ID: 260245

methyl 2-methanesulfonamido-3-methylbutanoate

$$$$ Data

M. F.

C7H15NO4S

Suppliers	Catalog Number
Enamine	EN300-45097

Database	Data ID
PubChem	23199094

M. W.

209.2633

CAS

Similarity

N/A

ID: 260246

2-(2-phenylethyl)pyrrolidine hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Enamine	EN300-45100

Database	Data ID
PubChem	45791529

M. W.

211.73102

CAS

Similarity

N/A

ID: 260247

5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C6H8N4O2

Suppliers	Catalog Number
Enamine	EN300-45101

Database	Data ID
PubChem	16228909

M. W.

168.15332

CAS

Similarity

N/A

ID: 260248

5-amino-3-(3-hydroxypropoxy)-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C7H10N4O2

Suppliers	Catalog Number
Enamine	EN300-45103

Database	Data ID
PubChem	16228911

M. W.

182.1799

CAS

Similarity

N/A

ID: 260249

2-phenylazepane hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Enamine	EN300-45104

Database	Data ID
PubChem	45791530

M. W.

211.73102

CAS

Similarity

N/A

ID: 260250

3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C15H13N3O2

Suppliers	Catalog Number
Enamine	EN300-45105

Database	Data ID
PubChem	7174615

M. W.

267.28262

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