Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H21NO

Suppliers	Catalog Number
Enamine	EN300-128058

Database	Data ID
PubChem	64106641

M. W.

171.27984

CAS

Similarity

N/A

ID: 248102

2-chloro-N-(1,1-dioxo-1λ⁶-thiolan-3-yl)-N-(oxolan-2-ylmethyl)acetami...

$$$$ Data

M. F.

C11H18ClNO4S

Suppliers	Catalog Number
Enamine	EN300-12806

Database	Data ID
PubChem	2772273

M. W.

295.78292

CAS

Similarity

N/A

ID: 248103

N-(2-aminoethyl)-3-bromoaniline

$$$$ Data

M. F.

C8H11BrN2

Suppliers	Catalog Number
Enamine	EN300-128060

Database	Data ID
PubChem	28301804

M. W.

215.09034

CAS

Similarity

N/A

ID: 248104

2,4-dimethylquinolin-6-amine

$$$$ Data

M. F.

C11H12N2

Suppliers	Catalog Number
Enamine	EN300-128062

Database	Data ID
PubChem	18007661

M. W.

172.22638

CAS

Similarity

N/A

ID: 248105

2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)propanoic acid

$$$$ Data

M. F.

C10H10F3NO3

Suppliers	Catalog Number
Enamine	EN300-128063

Database	Data ID
PubChem	64136914

M. W.

249.1865096

CAS

Similarity

N/A

ID: 248106

2,5-dimethyl-4-nitrobenzonitrile

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Enamine	EN300-128064

Database	Data ID
PubChem	52273

M. W.

176.17202

CAS

Similarity

N/A

ID: 248107

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

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Enamine	EN300-128065

Database	Data ID
PubChem	63382059

M. W.

248.23468

CAS

Similarity

N/A

ID: 248108

6-bromo-4-(2-chloroethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data

M. F.

C10H9BrClNO2

Suppliers	Catalog Number
Enamine	EN300-128069

Database	Data ID
PubChem	43152998

M. W.

290.54096

CAS

Similarity

N/A

ID: 248109

2-(ethanesulfinyl)benzoic acid

$$$$ Data

M. F.

C9H10O3S

Suppliers	Catalog Number
Enamine	EN300-12807

Database	Data ID
PubChem	2997876

M. W.

198.2389

CAS

Similarity

N/A

ID: 248110

(1R)-1-(1,3-thiazol-5-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C5H10Cl2N2S

Suppliers	Catalog Number
Enamine	EN300-128076

Database	Data ID
PubChem	71758389

M. W.

201.1173

CAS

Similarity

N/A

ID: 248111

3-(morpholin-4-yl)-3-sulfanylidenepropanethioamide

$$$$ Data

M. F.

C7H12N2OS2

Suppliers	Catalog Number
Enamine	EN300-12808

Database	Data ID
PubChem	4962076

M. W.

204.31298

CAS

Similarity

N/A

ID: 248112

5-acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile

$$$$ Data

M. F.

C8H7NO2S

Suppliers	Catalog Number
Enamine	EN300-12809

Database	Data ID
PubChem	4962077

M. W.

181.21168

CAS

120456-32-8

Similarity

N/A

ID: 248113

2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H15ClF3NO3

Suppliers	Catalog Number
Enamine	EN300-128090

Database	Data ID
PubChem	71758390

M. W.

301.6899096

CAS

Similarity

N/A

ID: 248114

4-hydroxy-N-phenylbenzamide

$$$$ Data

M. F.

C13H11NO2

Suppliers	Catalog Number
Enamine	EN300-128091

Database	Data ID
PubChem	564716

M. W.

213.23194

CAS

Similarity

N/A

ID: 248115

1-(2,4-difluorophenyl)-1H-1,3-benzodiazole-2-thiol

$$$$ Data

M. F.

C13H8F2N2S

Suppliers	Catalog Number
Enamine	EN300-128092

Database	Data ID
PubChem	14626481

M. W.

262.2778264

CAS

Similarity

N/A

ID: 248116

8-fluoro-2,3-dimethyl-1,4-dihydroquinolin-4-one

$$$$ Data

M. F.

C11H10FNO

Suppliers	Catalog Number
Enamine	EN300-128093

Database	Data ID
PubChem	60997244

M. W.

191.2016032

CAS

Similarity

N/A

ID: 248117

3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Enamine	EN300-128094

Database	Data ID
PubChem	4021089

M. W.

175.18726

CAS

Similarity

N/A

ID: 248118

2-(adamantan-1-yl)-2-(morpholin-4-yl)acetic acid

$$$$ Data

M. F.

C16H25NO3

Suppliers	Catalog Number
Enamine	EN300-128095

Database	Data ID
PubChem	71758391

M. W.

279.3746

CAS

Similarity

N/A

ID: 248119

methyl 4-amino-1-benzylpiperidine-4-carboxylate

$$$$ Data

M. F.

C14H20N2O2

Suppliers	Catalog Number
Enamine	EN300-128097

Database	Data ID
PubChem	3044632

M. W.

248.3208

CAS

Similarity

N/A

ID: 248120

N-[1-(2-chlorophenyl)-1-methoxypropan-2-yl]hydroxylamine

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-128098

Database	Data ID
PubChem	71758392

M. W.

215.67666

CAS

Similarity

N/A

ID: 248121

N'-(2-chloroacetyl)-2-methoxyacetohydrazide

$$$$ Data

M. F.

C5H9ClN2O3

Suppliers	Catalog Number
Enamine	EN300-128099

Database	Data ID
PubChem	71758393

M. W.

180.58956

CAS

Similarity

N/A

ID: 248122

2-(3-aminophenyl)ethyl acetate

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Enamine	EN300-128100

Database	Data ID
PubChem	58722238

M. W.

179.21572

CAS

Similarity

N/A

ID: 248123

3-(benzyloxy)-2-(tert-butoxy)pyridine

$$$$ Data

M. F.

C16H19NO2

Suppliers	Catalog Number
Enamine	EN300-128101

Database	Data ID
PubChem	71758394

M. W.

257.32756

CAS

Similarity

N/A

ID: 248124

2-[4-(propan-2-yloxy)phenyl]cyclopentan-1-amine

$$$$ Data

M. F.

C14H21NO

Suppliers	Catalog Number
Enamine	EN300-128102

Database	Data ID
PubChem	62795100

M. W.

219.32264

CAS

Similarity

N/A

ID: 248125

4-(benzenesulfonyl)-1H-imidazole

$$$$ Data

M. F.

C9H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-128103

Database	Data ID
PubChem	71187744

M. W.

208.23702

CAS

Similarity

N/A

ID: 248126

4-(piperidin-4-yl)-1λ⁶,4-thiomorpholine-1,1-dione dihydrochloride

$$$$ Data

M. F.

C9H20Cl2N2O2S

Suppliers	Catalog Number
Enamine	EN300-128104

Database	Data ID
PubChem	71758395

M. W.

291.2383

CAS

Similarity

N/A

ID: 248127

2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline hydrochloride

$$$$ Data

M. F.

C11H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-128105

Database	Data ID
PubChem	71758396

M. W.

227.68736

CAS

Similarity

N/A

ID: 248128

6,6-dimethyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-4-one

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Enamine	EN300-128106

Database	Data ID
PubChem	12485778

M. W.

164.20438

CAS

Similarity

N/A

ID: 248129

N-(2-chlorophenyl)-3-phenylprop-2-enamide

$$$$ Data

M. F.

C15H12ClNO

Suppliers	Catalog Number
Enamine	EN300-128108

Database	Data ID
PubChem	765318

M. W.

257.71488

CAS

Similarity

N/A

ID: 248130

1-3-formylphenoxy-N,N-dimethylmethanethioamide

$$$$ Data

M. F.

C10H11NO2S

Suppliers	Catalog Number
Enamine	EN300-128109

Database	Data ID
PubChem	21806966

M. W.

209.26484

CAS

Similarity

N/A

ID: 248131

ethyl[(3-fluorophenyl)methyl]amine

$$$$ Data

M. F.

C9H12FN

Suppliers	Catalog Number
Alfa Aesar	H56434
Enamine	EN300-12811

Database	Data ID
PubChem	457578

M. W.

153.1966832

CAS

90389-85-8

Similarity

N/A

ID: 248132

2,2-dimethylpent-4-yn-1-ol

$$$$ Data

M. F.

C7H12O

Suppliers	Catalog Number
Enamine	EN300-128110

Database	Data ID
PubChem	11297948

M. W.

112.16958

CAS

Similarity

N/A

ID: 248133

3-(benzyloxy)-2-methoxypyridine

$$$$ Data

M. F.

C13H13NO2

Suppliers	Catalog Number
Enamine	EN300-128111

Database	Data ID
PubChem	58779652

M. W.

215.24782

CAS

Similarity

N/A

ID: 248134

1-nitro-4-propoxybenzene

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-128112

Database	Data ID
PubChem	81657

M. W.

181.18854

CAS

Similarity

N/A

ID: 248135

N-(6-acetamidopyridin-2-yl)acetamide

$$$$ Data

M. F.

C9H11N3O2

Suppliers	Catalog Number
Enamine	EN300-128113

Database	Data ID
PubChem	95139

M. W.

193.20254

CAS

Similarity

N/A

ID: 248136

methyl 2-(2-bromo-2-methylpropanamido)-2-methylpropanoate

$$$$ Data

M. F.

C9H16BrNO3

Suppliers	Catalog Number
Enamine	EN300-128114

Database	Data ID
PubChem	71758397

M. W.

266.13224

CAS

Similarity

N/A

ID: 248137

(2,5-dichlorophenyl)(oxolan-3-yl)methanamine

$$$$ Data

M. F.

C11H13Cl2NO

Suppliers	Catalog Number
Enamine	EN300-128115

Database	Data ID
PubChem	61270856

M. W.

246.13302

CAS

Similarity

N/A

ID: 248138

N-[2-(furan-2-yl)ethyl]acetamide

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
Enamine	EN300-128116

Database	Data ID
PubChem	40234725

M. W.

153.17844

CAS

Similarity

N/A

ID: 248139

4-chloro-6,7-dimethylquinazoline

$$$$ Data

M. F.

C10H9ClN2

Suppliers	Catalog Number
Enamine	EN300-128118

Database	Data ID
PubChem	18932894

M. W.

192.64486

CAS

Similarity

N/A

ID: 248140

2-(5-bromo-2-hydroxypyridin-3-yl)acetonitrile

$$$$ Data

M. F.

C7H5BrN2O

Suppliers	Catalog Number
Enamine	EN300-128119

Database	Data ID
PubChem	68722586

M. W.

213.0314

CAS

Similarity

N/A

ID: 248141

[(4-ethoxy-3-methoxyphenyl)methyl](ethyl)amine

$$$$ Data

M. F.

C12H19NO2

Suppliers	Catalog Number
Enamine	EN300-12812

Database	Data ID
PubChem	2243528

M. W.

209.28476

CAS

Similarity

N/A

ID: 248142

N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ami...

$$$$ Data

M. F.

C15H16FN5

Suppliers	Catalog Number
Enamine	EN300-128120

Database	Data ID
PubChem	60966379

M. W.

285.3194432

CAS

Similarity

N/A

ID: 248143

2-(3-hydroxyphenyl)-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Enamine	EN300-128121

Database	Data ID
PubChem	43654653

M. W.

188.18272

CAS

Similarity

N/A

ID: 248144

2-amino-3-(oxan-4-yloxy)propanenitrile

$$$$ Data

M. F.

C8H14N2O2

Suppliers	Catalog Number
Enamine	EN300-128122

Database	Data ID
PubChem	61922142

M. W.

170.20896

CAS

Similarity

N/A

ID: 248145

5-(chloromethyl)-1-(2-methylpropyl)-1H-1,2,4-triazole hydrochloride

$$$$ Data

M. F.

C7H13Cl2N3

Suppliers	Catalog Number
Enamine	EN300-128125

Database	Data ID
PubChem	71758398

M. W.

210.10422

CAS

Similarity

N/A

ID: 248146

(1S)-1-(3-methylphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H14ClN

Suppliers	Catalog Number
Enamine	EN300-128126

Database	Data ID
PubChem	44828507

M. W.

171.66716

CAS

Similarity

N/A

ID: 248147

(1R)-1-(3-methylphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H14ClN

Suppliers	Catalog Number
Enamine	EN300-128127

Database	Data ID
PubChem	44828515

M. W.

171.66716

CAS

Similarity

N/A

ID: 248148

2-{1-azabicyclo[2.2.2]octan-3-ylidene}acetic acid hydrochloride

$$$$ Data

M. F.

C9H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-128128

Database	Data ID
PubChem	71758399

M. W.

203.66596

CAS

Similarity

N/A

ID: 248149

ethyl 2-methylpropanecarboximidate hydrochloride

$$$$ Data

M. F.

C6H14ClNO

Suppliers	Catalog Number
Enamine	EN300-128129

Database	Data ID
PubChem	12816252

M. W.

151.63446

CAS

Similarity

N/A

ID: 248150

(2H-1,3-benzodioxol-5-ylmethyl)(ethyl)amine

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Enamine	EN300-12813

Database	Data ID
PubChem	225840

M. W.

179.21572

CAS

6642-35-9

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