Chembase list of 866358 unique molecular structures

1,3-dihydrospiro[indene-2,3'-pyrrolidine]-2',5'-dione

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-64236

Database	Data ID
PubChem	12790937

M. W.

201.22124

CAS

Similarity

N/A

ID: 267802

1-{4-[2-(aminomethyl)phenyl]piperazin-1-yl}ethan-1-one

$$$$ Data

M. F.

C13H19N3O

Suppliers	Catalog Number
Enamine	EN300-64237

Database	Data ID
PubChem	23570254

M. W.

233.30946

CAS

Similarity

N/A

ID: 267803

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H13ClFNO

Suppliers	Catalog Number
Enamine	EN300-64238

Database	Data ID
PubChem	47003120

M. W.

229.6784232

CAS

Similarity

N/A

ID: 267804

2-bromo-1-(5-bromo-2-methoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C9H8Br2O2

Suppliers	Catalog Number
Enamine	EN300-64239

Database	Data ID
PubChem	2756850

M. W.

307.96662

CAS

Similarity

N/A

ID: 267805

2-chloro-4-(1H-imidazol-2-yl)pyridine

$$$$ Data

M. F.

C8H6ClN3

Suppliers	Catalog Number
Enamine	EN300-64240

Database	Data ID
PubChem	24786826

M. W.

179.60634

CAS

Similarity

N/A

ID: 267806

2-methylimidazo[1,2-a]pyridin-6-amine hydrobromide

$$$$ Data

M. F.

C8H10BrN3

Suppliers	Catalog Number
Enamine	EN300-64241

Database	Data ID
PubChem	47003121

M. W.

228.0891

CAS

Similarity

N/A

ID: 267807

8-methoxy-6-methyl-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride

$$$$ Data

M. F.

C11H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-64243

Database	Data ID
PubChem	47003122

M. W.

229.70324

CAS

Similarity

N/A

ID: 267808

N-(2-aminophenyl)quinoline-2-carboxamide

$$$$ Data

M. F.

C16H13N3O

Suppliers	Catalog Number
Enamine	EN300-64244

Database	Data ID
PubChem	16789465

M. W.

263.29392

CAS

Similarity

N/A

ID: 267809

1-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-3-carboxylic acid

$$$$ Data

M. F.

C13H16N2O4

Suppliers	Catalog Number
Enamine	EN300-64245

Database	Data ID
PubChem	43355886

M. W.

264.27714

CAS

Similarity

N/A

ID: 267810

8-methoxy-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-64246

Database	Data ID
PubChem	47003123

M. W.

215.67666

CAS

Similarity

N/A

ID: 267811

2-methyl-2-(morpholin-4-yl)propanoic acid hydrochloride

$$$$ Data

M. F.

C8H16ClNO3

Suppliers	Catalog Number
Enamine	EN300-64247

Database	Data ID
PubChem	47003124

M. W.

209.67054

CAS

Similarity

N/A

ID: 267812

6-chloro-3-methyl-4H-thiochromen-4-one

$$$$ Data

M. F.

C10H7ClOS

Suppliers	Catalog Number
Enamine	EN300-64248

Database	Data ID
PubChem	47003125

M. W.

210.67998

CAS

Similarity

N/A

ID: 267813

ethyl 1-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-3-carboxylate

$$$$ Data

M. F.

C15H20N2O4

Suppliers	Catalog Number
Enamine	EN300-64251

Database	Data ID
PubChem	43423509

M. W.

292.3303

CAS

Similarity

N/A

ID: 267814

2-amino-N-(pyridin-3-yl)acetamide

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Enamine	EN300-64252

Database	Data ID
PubChem	10654394

M. W.

151.16586

CAS

Similarity

N/A

ID: 267815

1-(2-phenoxyphenyl)ethan-1-amine

$$$$ Data

M. F.

C14H15NO

Suppliers	Catalog Number
Enamine	EN300-64253

Database	Data ID
PubChem	43189202

M. W.

213.275

CAS

Similarity

N/A

ID: 267816

1-(4-bromophenyl)-4,4-dimethylpentan-3-one

$$$$ Data

M. F.

C13H17BrO

Suppliers	Catalog Number
Enamine	EN300-64254

Database	Data ID
PubChem	43370332

M. W.

269.17748

CAS

Similarity

N/A

ID: 267817

1-[3-(trifluoromethyl)phenyl]piperidin-4-amine

$$$$ Data

M. F.

C12H15F3N2

Suppliers	Catalog Number
Enamine	EN300-64255

Database	Data ID
PubChem	23161770

M. W.

244.2561096

CAS

Similarity

N/A

ID: 267818

(3-aminopropyl)[(9-ethyl-9H-carbazol-3-yl)methyl]amine

$$$$ Data

M. F.

C18H23N3

Suppliers	Catalog Number
Enamine	EN300-64256

Database	Data ID
PubChem	47003126

M. W.

281.39532

CAS

Similarity

N/A

ID: 267819

3-amino-N-(pyridin-4-ylmethyl)propanamide

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
Enamine	EN300-64257

Database	Data ID
PubChem	22692033

M. W.

179.21902

CAS

Similarity

N/A

ID: 267820

4-(chloromethyl)-1-[(difluoromethyl)sulfanyl]-2-methoxybenzene

$$$$ Data

M. F.

C9H9ClF2OS

Suppliers	Catalog Number
Enamine	EN300-64258

Database	Data ID
PubChem	47003127

M. W.

238.6819664

CAS

Similarity

N/A

ID: 267821

1-(2-bromophenyl)-4,4-dimethylpentan-3-one

$$$$ Data

M. F.

C13H17BrO

Suppliers	Catalog Number
Enamine	EN300-64259

Database	Data ID
PubChem	43175830

M. W.

269.17748

CAS

Similarity

N/A

ID: 267822

7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine

$$$$ Data

M. F.

C9H11NO2S

Suppliers	Catalog Number
Enamine	EN300-64260

Database	Data ID
PubChem	47003128

M. W.

197.25414

CAS

Similarity

N/A

ID: 267823

1-cycloheptylpyrrolidin-3-amine

$$$$ Data

M. F.

C11H22N2

Suppliers	Catalog Number
Enamine	EN300-64261

Database	Data ID
PubChem	43315600

M. W.

182.30578

CAS

Similarity

N/A

ID: 267824

3-[4-(chlorosulfonyl)-2-fluorophenoxy]propanoic acid

$$$$ Data

M. F.

C9H8ClFO5S

Suppliers	Catalog Number
Enamine	EN300-64262

Database	Data ID
PubChem	24696969

M. W.

282.6732232

CAS

Similarity

N/A

ID: 267825

3-[(4-methylpiperidin-1-yl)methyl]benzonitrile

$$$$ Data

M. F.

C14H18N2

Suppliers	Catalog Number
Enamine	EN300-64266

Database	Data ID
PubChem	24701349

M. W.

214.30612

CAS

Similarity

N/A

ID: 267826

3-methylfuran-2-carboxamide

$$$$ Data

M. F.

C6H7NO2

Suppliers	Catalog Number
Enamine	EN300-64267

Database	Data ID
PubChem	10725345

M. W.

125.12528

CAS

Similarity

N/A

ID: 267827

N-cyclopentyl-4-nitroaniline

$$$$ Data

M. F.

C11H14N2O2

Suppliers	Catalog Number
Enamine	EN300-64268

Database	Data ID
PubChem	4426323

M. W.

206.24106

CAS

Similarity

N/A

ID: 267828

tert-butyl N-(carbamothioylmethyl)-N-methylcarbamate

$$$$ Data

M. F.

C8H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-64269

Database	Data ID
PubChem	54592561

M. W.

204.28984

CAS

Similarity

N/A

ID: 267829

1-(piperidin-4-yl)-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole dihydrochloride

$$$$ Data

M. F.

C11H20Cl2N4

Suppliers	Catalog Number
Enamine	EN300-64271

Database	Data ID
PubChem	47003129

M. W.

279.2093

CAS

Similarity

N/A

ID: 267830

tert-butyl N-(carbamothioylmethyl)-N-ethylcarbamate

$$$$ Data

M. F.

C9H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-64272

Database	Data ID
PubChem	54592562

M. W.

218.31642

CAS

Similarity

N/A

ID: 267831

tert-butyl N-(2-carbamothioylethyl)-N-methylcarbamate

$$$$ Data

M. F.

C9H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-64283

Database	Data ID
PubChem	62544166

M. W.

218.31642

CAS

Similarity

N/A

ID: 267832

tert-butyl 4-(2-chloropropanoyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C12H21ClN2O3

Suppliers	Catalog Number
Enamine	EN300-64286

Database	Data ID
PubChem	54592563

M. W.

276.75974

CAS

Similarity

N/A

ID: 267833

4,4-difluoro-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C9H9F2N

Suppliers	Catalog Number
Enamine	EN300-64292
A&J Pharmtech	AJA-O35401

Database	Data ID
PubChem	2774227

M. W.

169.1712664

CAS

537033-81-1

Similarity

N/A

ID: 267834

1-(2-methoxyethyl)-1H-pyrazol-3-amine

$$$$ Data

M. F.

C6H11N3O

Suppliers	Catalog Number
Enamine	EN300-64299

Database	Data ID
PubChem	45116728

M. W.

141.17104

CAS

Similarity

N/A

ID: 267835

methyl 2-[2-(2,6-dichlorophenyl)-N-methylacetamido]acetate

$$$$ Data

M. F.

C12H13Cl2NO3

Suppliers	Catalog Number
Enamine	EN300-64300

Database	Data ID
PubChem	43407394

M. W.

290.14252

CAS

Similarity

N/A

ID: 267836

N-methyl-3-(methylsulfanyl)aniline

$$$$ Data

M. F.

C8H11NS

Suppliers	Catalog Number
Enamine	EN300-64303

Database	Data ID
PubChem	15326005

M. W.

153.24464

CAS

Similarity

N/A

ID: 267837

tert-butyl N-{[2-(aminomethyl)phenyl]methyl}carbamate

$$$$ Data

M. F.

C13H20N2O2

Suppliers	Catalog Number
Enamine	EN300-64304
A&J Pharmtech	AJA-O30323

Database	Data ID
PubChem	23000607

M. W.

236.3101

CAS

439116-13-9

Similarity

N/A

ID: 267838

(cyclopropylmethyl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine

$$$$ Data

M. F.

C12H16N4

Suppliers	Catalog Number
Enamine	EN300-64306

Database	Data ID
PubChem	43685650

M. W.

216.28224

CAS

Similarity

N/A

ID: 267839

2-{[(1-cyclopropylethyl)amino]methyl}phenol

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Enamine	EN300-64307

Database	Data ID
PubChem	43533335

M. W.

191.26948

CAS

Similarity

N/A

ID: 267840

(propan-2-yl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine

$$$$ Data

M. F.

C11H16N4

Suppliers	Catalog Number
Enamine	EN300-64308

Database	Data ID
PubChem	43425582

M. W.

204.27154

CAS

Similarity

N/A

ID: 267841

1-phenyl-N-propylpiperidin-4-amine

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Enamine	EN300-64309

Database	Data ID
PubChem	43315393

M. W.

218.33788

CAS

Similarity

N/A

ID: 267842

2-{[(pentan-2-yl)amino]methyl}phenol

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Enamine	EN300-64310

Database	Data ID
PubChem	43191428

M. W.

193.28536

CAS

Similarity

N/A

ID: 267843

4-ethyl-3-oxohexanenitrile

$$$$ Data

M. F.

C8H13NO

Suppliers	Catalog Number
Enamine	EN300-64315

Database	Data ID
PubChem	23505748

M. W.

139.19492

CAS

Similarity

N/A

ID: 267844

(5-methyl-1,3,4-oxadiazol-2-yl)methyl acetate

$$$$ Data

M. F.

C6H8N2O3

Suppliers	Catalog Number
Enamine	EN300-64316

Database	Data ID
PubChem	47003131

M. W.

156.13932

CAS

Similarity

N/A

ID: 267845

5-[chloro(phenyl)methyl]-3-methyl-1,2,4-oxadiazole

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-64317

Database	Data ID
PubChem	43132537

M. W.

208.64426

CAS

Similarity

N/A

ID: 267846

3,4-dihydro-2H-1-benzopyran-6-amine

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Enamine	EN300-64319

Database	Data ID
PubChem	13297891

M. W.

149.18974

CAS

Similarity

N/A

ID: 267847

5-(morpholin-4-yl)pentanoic acid

$$$$ Data

M. F.

C9H17NO3

Suppliers	Catalog Number
Enamine	EN300-64322

Database	Data ID
PubChem	13137164

M. W.

187.23618

CAS

Similarity

N/A

ID: 267848

3-[1-(ethanesulfonyl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea

$$$$ Data

M. F.

C14H22N4O3S

Suppliers	Catalog Number
Enamine	EN300-64329

Database	Data ID
PubChem	47003132

M. W.

326.41448

CAS

Similarity

N/A

ID: 267849

3-[1-(ethanesulfonyl)piperidin-4-yl]-1-(pyridin-2-ylmethyl)urea

$$$$ Data

M. F.

C14H22N4O3S

Suppliers	Catalog Number
Enamine	EN300-64330

Database	Data ID
PubChem	47003133

M. W.

326.41448

CAS

Similarity

N/A

ID: 267850

1-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

$$$$ Data

M. F.

C11H16ClN

Suppliers	Catalog Number
Enamine	EN300-64332

Database	Data ID
PubChem	47003134

M. W.

197.70444

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