Chembase list of 866358 unique molecular structures

1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Enamine	EN300-86026
A&J Pharmtech	AJA-O19453

M. W.

205.253

CAS

96449-69-3

Similarity

N/A

ID: 279402

3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid

$$$$ Data

M. F.

C9H14N2O2

Suppliers	Catalog Number
Enamine	EN300-86028

M. W.

182.21966

CAS

Similarity

N/A

ID: 279403

1-(2,2-diethoxyethyl)-4-methylpiperazine

$$$$ Data

M. F.

C11H24N2O2

Suppliers	Catalog Number
Enamine	EN300-86029

M. W.

216.32046

CAS

Similarity

N/A

ID: 279404

2-cyclohexylcyclopropan-1-amine hydrochloride

$$$$ Data

M. F.

C9H18ClN

Suppliers	Catalog Number
Enamine	EN300-86030

M. W.

175.69892

CAS

Similarity

N/A

ID: 279405

ethyl 2-amino-4,5-difluorobenzoate

$$$$ Data

M. F.

C9H9F2NO2

Suppliers	Catalog Number
Enamine	EN300-86032

M. W.

201.1700664

CAS

Similarity

N/A

ID: 279406

2-[2-(trifluoromethyl)phenyl]propanoic acid

$$$$ Data

M. F.

C10H9F3O2

Suppliers	Catalog Number
Enamine	EN300-86033

M. W.

218.1724696

CAS

Similarity

N/A

ID: 279407

1-[2-(trifluoromethyl)phenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H11ClF3N

Suppliers	Catalog Number
Enamine	EN300-86035

M. W.

225.6385496

CAS

Similarity

N/A

ID: 279408

1-[3-fluoro-4-(methylsulfanyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C9H9FOS

Suppliers	Catalog Number
Enamine	EN300-86037

M. W.

184.2305632

CAS

Similarity

N/A

ID: 279409

1-(3,4-dimethoxyphenyl)propan-2-amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-86039

M. W.

231.71912

CAS

Similarity

N/A

ID: 279410

4-methoxy-2-methylbutanoic acid

$$$$ Data

M. F.

C6H12O3

Suppliers	Catalog Number
Enamine	EN300-86041

M. W.

132.15768

CAS

Similarity

N/A

ID: 279411

3-(1-isocyanatoethyl)-2,5-dimethylfuran

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Enamine	EN300-86042

M. W.

165.18914

CAS

Similarity

N/A

ID: 279412

ethyl({[3-(pyridin-4-yl)phenyl]methyl})amine

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
Enamine	EN300-86043

M. W.

212.29024

CAS

Similarity

N/A

ID: 279413

2-amino-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol

$$$$ Data

M. F.

C6H11N3O

Suppliers	Catalog Number
Enamine	EN300-86044

M. W.

141.17104

CAS

Similarity

N/A

ID: 279414

tert-butyl N-[2-methyl-4-(1,2,4-oxadiazol-5-yl)butan-2-yl]carbamate

$$$$ Data

M. F.

C12H21N3O3

Suppliers	Catalog Number
Enamine	EN300-86048

M. W.

255.31344

CAS

Similarity

N/A

ID: 279415

ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate

$$$$ Data

M. F.

C15H19NO2

Suppliers	Catalog Number
Enamine	EN300-86090

M. W.

245.31686

CAS

Similarity

N/A

ID: 279416

ethyl 2-oxo-1,2-dihydropyrimidine-5-carboxylate

$$$$ Data

M. F.

C7H8N2O3

Suppliers	Catalog Number
Enamine	EN300-86097

M. W.

168.15002

CAS

Similarity

N/A

ID: 279417

2-methoxybenzene-1-sulfonamide

$$$$ Data

M. F.

C7H9NO3S

Suppliers	Catalog Number
Enamine	EN300-86101

M. W.

187.21626

CAS

Similarity

N/A

ID: 279418

2-amino-3-(5-bromo-2-methoxyphenyl)propanoic acid hydrochloride

$$$$ Data

M. F.

C10H13BrClNO3

Suppliers	Catalog Number
Enamine	EN300-86103

M. W.

310.57212

CAS

Similarity

N/A

ID: 279419

3-[(3,4-dimethylphenyl)amino]-2,3-dihydro-1λ⁶-thiophene-1,1-dione

$$$$ Data

M. F.

C12H15NO2S

Suppliers	Catalog Number
Enamine	EN300-86114

M. W.

237.318

CAS

Similarity

N/A

ID: 279420

3-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophe...

$$$$ Data

M. F.

C15H18ClNO3S

Suppliers	Catalog Number
Enamine	EN300-86116

M. W.

327.82632

CAS

Similarity

N/A

ID: 279421

2-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophe...

$$$$ Data

M. F.

C14H16ClNO3S

Suppliers	Catalog Number
Enamine	EN300-86117

M. W.

313.79974

CAS

Similarity

N/A

ID: 279422

2-chloro-N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophen-3-yl)-N-(4-methylphen...

$$$$ Data

M. F.

C13H14ClNO3S

Suppliers	Catalog Number
Enamine	EN300-86119

M. W.

299.77316

CAS

Similarity

N/A

ID: 279423

2-chloro-N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophen-3-yl)-N-(4-fluorophen...

$$$$ Data

M. F.

C12H11ClFNO3S

Suppliers	Catalog Number
Enamine	EN300-86123

M. W.

303.7370432

CAS

Similarity

N/A

ID: 279424

4-(aminomethyl)-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide hydrochloride

$$$$ Data

M. F.

C10H12ClN3O2S2

Suppliers	Catalog Number
Enamine	EN300-86127

M. W.

305.80418

CAS

Similarity

N/A

ID: 279425

2,5-dimethyl-3-phenylpyrrolidine hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Enamine	EN300-86128

M. W.

211.73102

CAS

Similarity

N/A

ID: 279426

{1-[4-(2-methoxyphenyl)phenyl]ethyl}(methyl)amine

$$$$ Data

M. F.

C16H19NO

Suppliers	Catalog Number
Enamine	EN300-86129

M. W.

241.32816

CAS

Similarity

N/A

ID: 279427

2-{7-methyl-3H-imidazo[4,5-b]pyridin-2-yl}acetonitrile

$$$$ Data

M. F.

C9H8N4

Suppliers	Catalog Number
Enamine	EN300-86130

M. W.

172.18662

CAS

Similarity

N/A

ID: 279428

3-{[(2,5-dimethylphenyl)sulfanyl]methyl}benzoic acid

$$$$ Data

M. F.

C16H16O2S

Suppliers	Catalog Number
Enamine	EN300-86134

M. W.

272.36204

CAS

Similarity

N/A

ID: 279429

2-phenyl-2-(piperidin-2-yl)acetonitrile hydrochloride

$$$$ Data

M. F.

C13H17ClN2

Suppliers	Catalog Number
Enamine	EN300-86140

M. W.

236.74048

CAS

Similarity

N/A

ID: 279430

1-(3-bromophenyl)-2-phenylpropan-2-amine hydrochloride

$$$$ Data

M. F.

C15H17BrClN

Suppliers	Catalog Number
Enamine	EN300-86141

M. W.

326.65918

CAS

Similarity

N/A

ID: 279431

(2-chlorophenyl)(4-fluoro-3-methylphenyl)methanamine hydrochloride

$$$$ Data

M. F.

C14H14Cl2FN

Suppliers	Catalog Number
Enamine	EN300-86142

M. W.

286.1720632

CAS

Similarity

N/A

ID: 279432

3-(2-phenylethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride

$$$$ Data

M. F.

C13H18Cl2N4

Suppliers	Catalog Number
Enamine	EN300-86143

M. W.

301.21482

CAS

Similarity

N/A

ID: 279433

3-(2-tert-butyl-5-methylphenoxy)-2-(cyclopropylamino)-2-methylpropanenitrile

$$$$ Data

M. F.

C18H26N2O

Suppliers	Catalog Number
Enamine	EN300-86146

M. W.

286.41184

CAS

Similarity

N/A

ID: 279434

2-(pyrrolidin-1-yl)cyclohexan-1-ol

$$$$ Data

M. F.

C10H19NO

Suppliers	Catalog Number
Enamine	EN300-86150

M. W.

169.26396

CAS

Similarity

N/A

ID: 279435

1-[4-(2-methoxyphenyl)phenyl]ethan-1-amine

$$$$ Data

M. F.

C15H17NO

Suppliers	Catalog Number
Enamine	EN300-86151

M. W.

227.30158

CAS

Similarity

N/A

ID: 279436

3-[(4-methoxyphenyl)methyl]piperidine

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Enamine	EN300-86152
A&J Pharmtech	AJA-O32682

M. W.

205.29606

CAS

136422-65-6

Similarity

N/A

ID: 279437

7-methyl-3,4-dihydro-2H-1,4-benzoxazine

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Enamine	EN300-86154

M. W.

149.18974

CAS

Similarity

N/A

ID: 279438

N-{3-[2-(aminomethyl)phenoxy]propyl}-N-methylcyclopentanamine

$$$$ Data

M. F.

C16H26N2O

Suppliers	Catalog Number
Enamine	EN300-86158

M. W.

262.39044

CAS

Similarity

N/A

ID: 279439

{[4-(2-methoxyphenyl)phenyl]methyl}(propan-2-yl)amine

$$$$ Data

M. F.

C17H21NO

Suppliers	Catalog Number
Enamine	EN300-86161

M. W.

255.35474

CAS

Similarity

N/A

ID: 279440

1,3-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

$$$$ Data

M. F.

C11H14N2O

Suppliers	Catalog Number
Enamine	EN300-86162

M. W.

190.24166

CAS

Similarity

N/A

ID: 279441

methyl({1-[3-(pyridin-4-yl)phenyl]ethyl})amine

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
Enamine	EN300-86163

M. W.

212.29024

CAS

Similarity

N/A

ID: 279442

4-(2-nitrophenyl)butan-2-one

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Enamine	EN300-86166

M. W.

193.19924

CAS

Similarity

N/A

ID: 279443

propyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate

$$$$ Data

M. F.

C18H18F3NO4

Suppliers	Catalog Number
Enamine	EN300-86167

M. W.

369.3350296

CAS

Similarity

N/A

ID: 279444

3-methyl-1-(4-methylphenyl)butan-2-one

$$$$ Data

M. F.

C12H16O

Suppliers	Catalog Number
Enamine	EN300-86168

M. W.

176.25484

CAS

Similarity

N/A

ID: 279445

8-chloro-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

$$$$ Data

M. F.

C10H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-86171

M. W.

210.66014

CAS

Similarity

N/A

ID: 279446

1-(2-aminopropoxy)-2-methoxyethane hydrochloride

$$$$ Data

M. F.

C6H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-86173

M. W.

169.64974

CAS

Similarity

N/A

ID: 279447

3-(dimethylamino)-1-phenylpropan-1-ol

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Enamine	EN300-86174
Bide Pharmatech	BD21728
A&J Pharmtech	AJA-O38980

M. W.

179.25878

CAS

60577-28-8

Similarity

N/A

ID: 279448

5-fluoro-1-benzofuran-2-carbaldehyde

$$$$ Data

M. F.

C9H5FO2

Suppliers	Catalog Number
Enamine	EN300-86182

M. W.

164.1332032

CAS

Similarity

N/A

ID: 279449

2-[4-(1-aminoethyl)phenoxy]acetamide

$$$$ Data

M. F.

C10H14N2O2

Suppliers	Catalog Number
Enamine	EN300-86184

M. W.

194.23036

CAS

Similarity

N/A

ID: 279450

tert-butyl 4-[(2-fluorophenyl)amino]piperidine-1-carboxylate

$$$$ Data

M. F.

C16H23FN2O2

Suppliers	Catalog Number
Enamine	EN300-86186

M. W.

294.3644232

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