Chembase list of 866358 unique molecular structures

1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

$$$$ Data

M. F.

C10H19N

Suppliers	Catalog Number
Enamine	EN300-58519

Database	Data ID
PubChem	536556

M. W.

153.26456

CAS

Similarity

N/A

ID: 265102

2-{[(3-fluorophenyl)methyl]amino}acetic acid

$$$$ Data

M. F.

C9H10FNO2

Suppliers	Catalog Number
Enamine	EN300-58522

Database	Data ID
PubChem	16228556

M. W.

183.1796032

CAS

Similarity

N/A

ID: 265103

4-chloro-2,3-dihydro-1H-inden-1-amine

$$$$ Data

M. F.

C9H10ClN

Suppliers	Catalog Number
Enamine	EN300-58538
A&J Pharmtech	AJA-O26787

Database	Data ID
PubChem	16244317

M. W.

167.6354

CAS

67120-40-5

Similarity

N/A

ID: 265104

(1R)-1-(3,4-dichlorophenyl)ethan-1-amine

$$$$ Data

M. F.

C8H9Cl2N

Suppliers	Catalog Number
Enamine	EN300-58541

Database	Data ID
PubChem	793515

M. W.

190.06976

CAS

Similarity

N/A

ID: 265105

2-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]ethan-1-amine

$$$$ Data

M. F.

C17H16ClN3

Suppliers	Catalog Number
Enamine	EN300-58543

Database	Data ID
PubChem	39872404

M. W.

297.78204

CAS

Similarity

N/A

ID: 265106

4-[butyl(methyl)amino]benzoic acid

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
Enamine	EN300-58544

Database	Data ID
PubChem	15077621

M. W.

207.26888

CAS

Similarity

N/A

ID: 265107

2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

$$$$ Data

M. F.

C10H14N2

Suppliers	Catalog Number
Enamine	EN300-58560

Database	Data ID
PubChem	14171269

M. W.

162.23156

CAS

Similarity

N/A

ID: 265108

4-[(2-methoxy-5-methylphenyl)amino]butanoic acid

$$$$ Data

M. F.

C12H17NO3

Suppliers	Catalog Number
Enamine	EN300-58562

Database	Data ID
PubChem	18071536

M. W.

223.26828

CAS

Similarity

N/A

ID: 265109

4-(pyridin-3-yloxy)benzonitrile

$$$$ Data

M. F.

C12H8N2O

Suppliers	Catalog Number
Enamine	EN300-58576

Database	Data ID
PubChem	43137984

M. W.

196.20472

CAS

Similarity

N/A

ID: 265110

N-(2-aminoethyl)-3-nitrobenzene-1-sulfonamide

$$$$ Data

M. F.

C8H11N3O4S

Suppliers	Catalog Number
Enamine	EN300-58584

Database	Data ID
PubChem	4218598

M. W.

245.25564

CAS

Similarity

N/A

ID: 265111

1-[4-(dimethylamino)piperidin-1-yl]-2-(piperidin-4-yl)ethan-1-one

$$$$ Data

M. F.

C14H27N3O

Suppliers	Catalog Number
Enamine	EN300-58587

Database	Data ID
PubChem	43586221

M. W.

253.38368

CAS

Similarity

N/A

ID: 265112

4-amino-N-methylcyclohexane-1-carboxamide

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
Enamine	EN300-58588

Database	Data ID
PubChem	18071390

M. W.

156.22544

CAS

Similarity

N/A

ID: 265113

5-amino-1-(propan-2-yl)piperidin-2-one

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
Enamine	EN300-58589

Database	Data ID
PubChem	54592545

M. W.

156.22544

CAS

Similarity

N/A

ID: 265114

1,7-diazaspiro[3.5]nonan-2-one

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Enamine	EN300-58590

Database	Data ID
PubChem	22975585

M. W.

140.18298

CAS

Similarity

N/A

ID: 265115

7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
Enamine	EN300-58592

Database	Data ID
PubChem	12923429

M. W.

207.26888

CAS

Similarity

N/A

ID: 265116

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

$$$$ Data

M. F.

C10H8F2N2S

Suppliers	Catalog Number
Enamine	EN300-58593

Database	Data ID
PubChem	16228107

M. W.

226.2457264

CAS

Similarity

N/A

ID: 265117

3-(octyloxy)propan-1-amine

$$$$ Data

M. F.

C11H25NO

Suppliers	Catalog Number
Enamine	EN300-58597

Database	Data ID
PubChem	85192

M. W.

187.3223

CAS

Similarity

N/A

ID: 265118

4-(trifluoromethyl)piperidin-4-ol

$$$$ Data

M. F.

C6H10F3NO

Suppliers	Catalog Number
Enamine	EN300-58599

Database	Data ID
PubChem	17951321

M. W.

169.1449096

CAS

Similarity

N/A

ID: 265119

3-amino-N-(6-methylpyridin-2-yl)propanamide

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
Enamine	EN300-58605

Database	Data ID
PubChem	22690060

M. W.

179.21902

CAS

Similarity

N/A

ID: 265120

2-(dimethylamino)-2-phenylacetic acid

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Enamine	EN300-58606

Database	Data ID
PubChem	315599

M. W.

179.21572

CAS

Similarity

N/A

ID: 265121

1-{5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentan-1-amine

$$$$ Data

M. F.

C10H18N4O

Suppliers	Catalog Number
Enamine	EN300-58607

Database	Data ID
PubChem	54592520

M. W.

210.27612

CAS

Similarity

N/A

ID: 265122

(1S)-1-(4-methanesulfonylphenyl)ethan-1-amine

$$$$ Data

M. F.

C9H13NO2S

Suppliers	Catalog Number
Enamine	EN300-58614

Database	Data ID
PubChem	6931007

M. W.

199.27002

CAS

Similarity

N/A

ID: 265123

N-(prop-2-yn-1-yl)cyclohexanamine

$$$$ Data

M. F.

C9H15N

Suppliers	Catalog Number
ChemBridge	4001806
Enamine	EN300-58623

Database	Data ID
PubChem	1827584

M. W.

137.2221

CAS

18292-76-7

Similarity

N/A

ID: 265124

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

$$$$ Data

M. F.

C10H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-58634

Database	Data ID
PubChem	22218091

M. W.

226.29536

CAS

Similarity

N/A

ID: 265125

(1R)-1-(pyridin-3-yl)ethan-1-amine

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
Enamine	EN300-58641
A&J Pharmtech	AJA-O21720

Database	Data ID
PubChem	1084920

M. W.

122.1677

CAS

40154-75-4

Similarity

N/A

ID: 265126

2-amino-1-(4-phenylpiperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C12H17N3O

Suppliers	Catalog Number
Enamine	EN300-58642

Database	Data ID
PubChem	4741336

M. W.

219.28288

CAS

Similarity

N/A

ID: 265127

(3-methoxy-4-methylphenyl)methanamine

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Enamine	EN300-58644

Database	Data ID
PubChem	22467613

M. W.

151.20562

CAS

Similarity

N/A

ID: 265128

5-bromo-2,3-dihydro-1H-inden-1-amine

$$$$ Data

M. F.

C9H10BrN

Suppliers	Catalog Number
Enamine	EN300-58656
A&J Pharmtech	AJA-O26811

Database	Data ID
PubChem	22228388

M. W.

212.0864

CAS

185122-74-1

Similarity

N/A

ID: 265129

methyl (3S)-piperidine-3-carboxylate

$$$$ Data

M. F.

C7H13NO2

Suppliers	Catalog Number
Enamine	EN300-58682
Bide Pharmatech	BD218325

Database	Data ID
PubChem	18727136

M. W.

143.18362

CAS

276248-50-1

Similarity

N/A

ID: 265130

cyclohexanecarboximidamide

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
Enamine	EN300-58685

Database	Data ID
PubChem	193051

M. W.

126.19946

CAS

Similarity

N/A

ID: 265131

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

$$$$ Data

M. F.

C9H11NS

Suppliers	Catalog Number
Enamine	EN300-58696

Database	Data ID
PubChem	21665657

M. W.

165.25534

CAS

Similarity

N/A

ID: 265132

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

$$$$ Data

M. F.

C10H14N2

Suppliers	Catalog Number
Enamine	EN300-58703

Database	Data ID
PubChem	23005515

M. W.

162.23156

CAS

Similarity

N/A

ID: 265133

N,N-diethylpyrrolidine-2-carboxamide

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Enamine	EN300-58706

Database	Data ID
PubChem	5036780

M. W.

170.25202

CAS

Similarity

N/A

ID: 265134

3-(1H-imidazol-2-yl)aniline

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
Enamine	EN300-58718

Database	Data ID
PubChem	23009406

M. W.

159.18786

CAS

Similarity

N/A

ID: 265135

4-fluoro-2,3-dihydro-1H-inden-1-amine

$$$$ Data

M. F.

C9H10FN

Suppliers	Catalog Number
Enamine	EN300-58727
A&J Pharmtech	AJA-O26766

Database	Data ID
PubChem	16244318

M. W.

151.1808032

CAS

148960-34-3

Similarity

N/A

ID: 265136

[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl](methyl)amine

$$$$ Data

M. F.

C11H15N3

Suppliers	Catalog Number
Enamine	EN300-58732

Database	Data ID
PubChem	43088387

M. W.

189.2569

CAS

Similarity

N/A

ID: 265137

4-(2-phenylethoxy)piperidine

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Enamine	EN300-58735

Database	Data ID
PubChem	26188604

M. W.

205.29606

CAS

Similarity

N/A

ID: 265138

1-propyl-1H-indol-5-amine

$$$$ Data

M. F.

C11H14N2

Suppliers	Catalog Number
Enamine	EN300-58736

Database	Data ID
PubChem	19016484

M. W.

174.24226

CAS

Similarity

N/A

ID: 265139

2-amino-6,6,6-trifluoro-5-hydroxyhexanoic acid

$$$$ Data

M. F.

C6H10F3NO3

Suppliers	Catalog Number
Enamine	EN300-58737

Database	Data ID
PubChem	43810875

M. W.

201.1437096

CAS

Similarity

N/A

ID: 265140

4-[ethyl(methyl)amino]benzoic acid

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Enamine	EN300-58738

Database	Data ID
PubChem	43263558

M. W.

179.21572

CAS

Similarity

N/A

ID: 265141

(1S)-1-(2,4-dimethylphenyl)ethan-1-amine

$$$$ Data

M. F.

C10H15N

Suppliers	Catalog Number
Enamine	EN300-58741

Database	Data ID
PubChem	40433458

M. W.

149.2328

CAS

Similarity

N/A

ID: 265142

2-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}pyridine-3-carboxylic acid

$$$$ Data

M. F.

C18H21N3O3

Suppliers	Catalog Number
Enamine	EN300-58745

Database	Data ID
PubChem	18536281

M. W.

327.37764

CAS

Similarity

N/A

ID: 265143

4-iodo-3-methoxyaniline

$$$$ Data

M. F.

C7H8INO

Suppliers	Catalog Number
Enamine	EN300-58752

Database	Data ID
PubChem	22637028

M. W.

249.04899

CAS

Similarity

N/A

ID: 265144

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

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Enamine	EN300-58757

Database	Data ID
PubChem	13236059

M. W.

179.21572

CAS

Similarity

N/A

ID: 265145

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

$$$$ Data

M. F.

C5H9N3O

Suppliers	Catalog Number
Enamine	EN300-58765
Bide Pharmatech	BD168209

Database	Data ID
PubChem	28492267

M. W.

127.14446

CAS

948571-47-9

Similarity

N/A

ID: 265146

3-(cyclopentylamino)propanoic acid

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Enamine	EN300-58768

Database	Data ID
PubChem	16768971

M. W.

157.2102

CAS

Similarity

N/A

ID: 265147

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1H-pyrazol-4-amine

$$$$ Data

M. F.

C14H19N3O2

Suppliers	Catalog Number
Enamine	EN300-58771

Database	Data ID
PubChem	43534921

M. W.

261.31956

CAS

Similarity

N/A

ID: 265148

3-(benzyloxy)-2-methylpropan-1-amine

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Enamine	EN300-58780

Database	Data ID
PubChem	43367947

M. W.

179.25878

CAS

Similarity

N/A

ID: 265149

4-(1H-imidazol-2-yl)aniline

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
ChemBridge	4045011
Enamine	EN300-58792

Database	Data ID
PubChem	23506927

M. W.

159.18786

CAS

13682-33-2

Similarity

N/A

ID: 265150

octahydro-1H-cyclopenta[b]pyridine

$$$$ Data

M. F.

C8H15N

Suppliers	Catalog Number
Enamine	EN300-58793

Database	Data ID
PubChem	98448

M. W.

125.2114

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