Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H9N3O2S

Suppliers	Catalog Number
Enamine	EN300-57651

Database	Data ID
PubChem	13342782

M. W.

175.20886

CAS

Similarity

N/A

ID: 265002

3-(4-fluorophenyl)-3-(piperidin-4-yl)propanoic acid

$$$$ Data

M. F.

C14H18FNO2

Suppliers	Catalog Number
Enamine	EN300-57684

Database	Data ID
PubChem	17552711

M. W.

251.2966232

CAS

Similarity

N/A

ID: 265003

1-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine

$$$$ Data

M. F.

C10H18N4O

Suppliers	Catalog Number
Enamine	EN300-57698

Database	Data ID
PubChem	43235663

M. W.

210.27612

CAS

Similarity

N/A

ID: 265004

3-amino-1,1,1-trifluoro-4-phenylbutan-2-one

$$$$ Data

M. F.

C10H10F3NO

Suppliers	Catalog Number
Enamine	EN300-57702

Database	Data ID
PubChem	16228651

M. W.

217.1877096

CAS

Similarity

N/A

ID: 265005

3-amino-1,1,1-trifluoro-3-phenylpropan-2-ol

$$$$ Data

M. F.

C9H10F3NO

Suppliers	Catalog Number
Enamine	EN300-57713

Database	Data ID
PubChem	16228658

M. W.

205.1770096

CAS

Similarity

N/A

ID: 265006

1-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-amine

$$$$ Data

M. F.

C12H14FN3

Suppliers	Catalog Number
Enamine	EN300-57724

Database	Data ID
PubChem	42950335

M. W.

219.2580632

CAS

Similarity

N/A

ID: 265007

N-(2-aminoethyl)-2-nitroaniline

$$$$ Data

M. F.

C8H11N3O2

Suppliers	Catalog Number
Enamine	EN300-57726

Database	Data ID
PubChem	2771787

M. W.

181.19184

CAS

Similarity

N/A

ID: 265008

5-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}furan-2-carboxylic acid

$$$$ Data

M. F.

C10H10N2O3S

Suppliers	Catalog Number
Enamine	EN300-57738

Database	Data ID
PubChem	16228673

M. W.

238.263

CAS

Similarity

N/A

ID: 265009

5-amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C8H12N2O2

Suppliers	Catalog Number
Enamine	EN300-57751

Database	Data ID
PubChem	20117994

M. W.

168.19308

CAS

Similarity

N/A

ID: 265010

3-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]aniline

$$$$ Data

M. F.

C8H9N5S

Suppliers	Catalog Number
Enamine	EN300-57756

Database	Data ID
PubChem	21294228

M. W.

207.25556

CAS

Similarity

N/A

ID: 265011

tricyclo[5.2.1.0²,⁶]decan-8-amine

$$$$ Data

M. F.

C10H17N

Suppliers	Catalog Number
Enamine	EN300-57761

Database	Data ID
PubChem	86760

M. W.

151.24868

CAS

Similarity

N/A

ID: 265012

1-[(3-methylphenyl)methyl]-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-57773

Database	Data ID
PubChem	16781803

M. W.

187.24102

CAS

Similarity

N/A

ID: 265013

(5-chlorothiophen-2-yl)methanamine

$$$$ Data

M. F.

C5H6ClNS

Suppliers	Catalog Number
Enamine	EN300-57774
A&J Pharmtech	AJA-O23972

Database	Data ID
PubChem	11446421

M. W.

147.62584

CAS

214759-22-5

Similarity

N/A

ID: 265014

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-amine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Enamine	EN300-57776

Database	Data ID
PubChem	16641863

M. W.

190.28472

CAS

Similarity

N/A

ID: 265015

1-{1-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine

$$$$ Data

M. F.

C12H16N4OS

Suppliers	Catalog Number
Enamine	EN300-57778

Database	Data ID
PubChem	54592544

M. W.

264.34664

CAS

Similarity

N/A

ID: 265016

2-amino-3-phenylpropanenitrile

$$$$ Data

M. F.

C9H10N2

Suppliers	Catalog Number
Enamine	EN300-57789

Database	Data ID
PubChem	561384

M. W.

146.1891

CAS

Similarity

N/A

ID: 265017

1-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C10H10FN3

Suppliers	Catalog Number
Enamine	EN300-57792

Database	Data ID
PubChem	14176661

M. W.

191.2049032

CAS

Similarity

N/A

ID: 265018

2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-amine

$$$$ Data

M. F.

C10H16N2S

Suppliers	Catalog Number
Enamine	EN300-57802

Database	Data ID
PubChem	16789654

M. W.

196.31244

CAS

Similarity

N/A

ID: 265019

2-(2,3-dihydro-1H-indol-1-yl)propan-1-amine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Enamine	EN300-57810

Database	Data ID
PubChem	16783972

M. W.

176.25814

CAS

Similarity

N/A

ID: 265020

2-phenyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

$$$$ Data

M. F.

C12H13N3

Suppliers	Catalog Number
Enamine	EN300-57833

Database	Data ID
PubChem	16228823

M. W.

199.25172

CAS

Similarity

N/A

ID: 265021

3-(hydrazinylmethyl)pyridine

$$$$ Data

M. F.

C6H9N3

Suppliers	Catalog Number
Enamine	EN300-57839

Database	Data ID
PubChem	12232495

M. W.

123.15576

CAS

Similarity

N/A

ID: 265022

3-[(2-hydroxyethyl)amino]benzoic acid

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-57841

Database	Data ID
PubChem	16228546

M. W.

181.18854

CAS

Similarity

N/A

ID: 265023

N-(4-aminophenyl)-3-(dimethylamino)propanamide

$$$$ Data

M. F.

C11H17N3O

Suppliers	Catalog Number
Enamine	EN300-57842

Database	Data ID
PubChem	16788112

M. W.

207.27218

CAS

Similarity

N/A

ID: 265024

N-[2-(pyridin-2-yl)ethyl]piperidine-4-carboxamide

$$$$ Data

M. F.

C13H19N3O

Suppliers	Catalog Number
Enamine	EN300-57871

Database	Data ID
PubChem	16228131

M. W.

233.30946

CAS

Similarity

N/A

ID: 265025

piperidine-3-sulfonamide

$$$$ Data

M. F.

C5H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-57879

Database	Data ID
PubChem	24703810

M. W.

164.22598

CAS

Similarity

N/A

ID: 265026

2,6-dimethyl-4-(piperidine-4-carbonyl)morpholine

$$$$ Data

M. F.

C12H22N2O2

Suppliers	Catalog Number
Enamine	EN300-57883

Database	Data ID
PubChem	16228402

M. W.

226.31528

CAS

Similarity

N/A

ID: 265027

[4-(azepane-1-carbonyl)phenyl]methanamine

$$$$ Data

M. F.

C14H20N2O

Suppliers	Catalog Number
Enamine	EN300-57892

Database	Data ID
PubChem	16228052

M. W.

232.3214

CAS

Similarity

N/A

ID: 265028

2-amino-N,4-dimethylpentanamide

$$$$ Data

M. F.

C7H16N2O

Suppliers	Catalog Number
Enamine	EN300-57921

Database	Data ID
PubChem	14284954

M. W.

144.21474

CAS

Similarity

N/A

ID: 265029

N-phenyl-1,4-diazepane-1-carboxamide

$$$$ Data

M. F.

C12H17N3O

Suppliers	Catalog Number
Enamine	EN300-57930

Database	Data ID
PubChem	16228158

M. W.

219.28288

CAS

Similarity

N/A

ID: 265030

{imidazo[1,2-a]pyridin-2-ylmethyl}hydrazine

$$$$ Data

M. F.

C8H10N4

Suppliers	Catalog Number
Enamine	EN300-57935

Database	Data ID
PubChem	16228260

M. W.

162.1918

CAS

Similarity

N/A

ID: 265031

4-{[(2-methylphenyl)methyl]amino}benzoic acid

$$$$ Data

M. F.

C15H15NO2

Suppliers	Catalog Number
Enamine	EN300-57947

Database	Data ID
PubChem	16228622

M. W.

241.2851

CAS

Similarity

N/A

ID: 265032

2-amino-N-(pyridin-2-ylmethyl)acetamide

$$$$ Data

M. F.

C8H11N3O

Suppliers	Catalog Number
Enamine	EN300-57949

Database	Data ID
PubChem	22690349

M. W.

165.19244

CAS

Similarity

N/A

ID: 265033

3,4-dihydro-2H-1-benzopyran-3-amine

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
ChemBridge	4018509
Enamine	EN300-57961
A&J Pharmtech	AJA-O33712

Database	Data ID
PubChem	205709

M. W.

149.18974

CAS

59108-53-1

Similarity

N/A

ID: 265034

1-(4-fluorophenyl)-3-(piperidin-4-yl)urea

$$$$ Data

M. F.

C12H16FN3O

Suppliers	Catalog Number
Enamine	EN300-57978

Database	Data ID
PubChem	16781536

M. W.

237.2733432

CAS

Similarity

N/A

ID: 265035

1-(pyridine-4-carbonyl)piperidin-4-amine

$$$$ Data

M. F.

C11H15N3O

Suppliers	Catalog Number
Enamine	EN300-57979

Database	Data ID
PubChem	4778217

M. W.

205.2563

CAS

Similarity

N/A

ID: 265036

2-(1H-1,2,3-triazol-1-yl)aniline

$$$$ Data

M. F.

C8H8N4

Suppliers	Catalog Number
Enamine	EN300-57989

Database	Data ID
PubChem	16775070

M. W.

160.17592

CAS

Similarity

N/A

ID: 265037

2-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-amine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Enamine	EN300-58028

Database	Data ID
PubChem	20116695

M. W.

176.25814

CAS

Similarity

N/A

ID: 265038

1-(4-aminopiperidin-1-yl)-2-methoxyethan-1-one

$$$$ Data

M. F.

C8H16N2O2

Suppliers	Catalog Number
Enamine	EN300-58060

Database	Data ID
PubChem	16777912

M. W.

172.22484

CAS

Similarity

N/A

ID: 265039

1-(3-aminopropyl)-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
ChemBridge	4044394
Enamine	EN300-58073

Database	Data ID
PubChem	572935

M. W.

152.19368

CAS

102675-58-1

Similarity

N/A

ID: 265040

5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C12H14N2S

Suppliers	Catalog Number
Enamine	EN300-58075

Database	Data ID
PubChem	4739220

M. W.

218.31796

CAS

Similarity

N/A

ID: 265041

5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C11H11BrN2S

Suppliers	Catalog Number
Enamine	EN300-58077

Database	Data ID
PubChem	16228108

M. W.

283.18744

CAS

Similarity

N/A

ID: 265042

cyclopentyl(4-fluorophenyl)methanamine

$$$$ Data

M. F.

C12H16FN

Suppliers	Catalog Number
Enamine	EN300-58093

Database	Data ID
PubChem	20109571

M. W.

193.2605432

CAS

Similarity

N/A

ID: 265043

2-(1,4-diazepan-1-yl)acetamide

$$$$ Data

M. F.

C7H15N3O

Suppliers	Catalog Number
Enamine	EN300-58096

Database	Data ID
PubChem	16228720

M. W.

157.2135

CAS

Similarity

N/A

ID: 265044

2-(4-aminopiperidin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

$$$$ Data

M. F.

C11H21N3O

Suppliers	Catalog Number
Enamine	EN300-58097

Database	Data ID
PubChem	16777276

M. W.

211.30394

CAS

Similarity

N/A

ID: 265045

3-(1-aminoethyl)phenol

$$$$ Data

M. F.

C8H11NO

Suppliers	Catalog Number
Enamine	EN300-58109

Database	Data ID
PubChem	12347986

M. W.

137.17904

CAS

Similarity

N/A

ID: 265046

2-methoxycyclopentan-1-amine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Enamine	EN300-58122

Database	Data ID
PubChem	16795922

M. W.

115.17352

CAS

Similarity

N/A

ID: 265047

1-[(dimethyl-4H-1,2,4-triazol-3-yl)methyl]piperazine

$$$$ Data

M. F.

C9H17N5

Suppliers	Catalog Number
Enamine	EN300-58128

Database	Data ID
PubChem	43524597

M. W.

195.26478

CAS

Similarity

N/A

ID: 265048

2-{bicyclo[2.2.1]heptan-2-yl}ethan-1-amine

$$$$ Data

M. F.

C9H17N

Suppliers	Catalog Number
Enamine	EN300-58135

Database	Data ID
PubChem	20222870

M. W.

139.23798

CAS

Similarity

N/A

ID: 265049

2-(pyridin-4-yl)ethane-1-sulfonyl chloride

$$$$ Data

M. F.

C7H8ClNO2S

Suppliers	Catalog Number
Enamine	EN300-58140

Database	Data ID
PubChem	18670393

M. W.

205.66192

CAS

Similarity

N/A

ID: 265050

7-chloro-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C8H8ClN

Suppliers	Catalog Number
Enamine	EN300-58142

Database	Data ID
PubChem	11084082

M. W.

153.60882

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