Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Enamine	EN300-74744

Database	Data ID
PubChem	54592828

M. W.

157.2102

CAS

Similarity

N/A

ID: 273402

3-[2-(4-aminophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione

$$$$ Data

M. F.

C13H17N3O3

Suppliers	Catalog Number
Enamine	EN300-74745

Database	Data ID
PubChem	43365750

M. W.

263.29238

CAS

Similarity

N/A

ID: 273403

3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide dihydrochloride

$$$$ Data

M. F.

C7H14Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-74746

Database	Data ID
PubChem	54592829

M. W.

241.11826

CAS

Similarity

N/A

ID: 273404

tert-butyl N-[(N'-hydroxycarbamimidoyl)(phenyl)methyl]carbamate

$$$$ Data

M. F.

C13H19N3O3

Suppliers	Catalog Number
Enamine	EN300-74747

Database	Data ID
PubChem	16740626

M. W.

265.30826

CAS

Similarity

N/A

ID: 273405

1-(piperazin-1-yl)cyclohexane-1-carboxamide dihydrochloride

$$$$ Data

M. F.

C11H23Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-74748

Database	Data ID
PubChem	22314769

M. W.

284.22582

CAS

Similarity

N/A

ID: 273406

3-hydroxy-N-(3-hydroxypropyl)pyridine-2-carboxamide

$$$$ Data

M. F.

C9H12N2O3

Suppliers	Catalog Number
Enamine	EN300-74749

Database	Data ID
PubChem	51890199

M. W.

196.20318

CAS

Similarity

N/A

ID: 273407

tert-butyl N-[(N'-hydroxycarbamimidoyl)[2-(trifluoromethoxy)phenyl]methyl]carbam...

$$$$ Data

M. F.

C14H18F3N3O4

Suppliers	Catalog Number
Enamine	EN300-74751

Database	Data ID
PubChem	54592831

M. W.

349.3056296

CAS

Similarity

N/A

ID: 273408

3-[(cyclohexyloxy)methyl]benzonitrile

$$$$ Data

M. F.

C14H17NO

Suppliers	Catalog Number
Enamine	EN300-74752

Database	Data ID
PubChem	24695989

M. W.

215.29088

CAS

Similarity

N/A

ID: 273409

1-cyclohexyl-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H14N2O2

Suppliers	Catalog Number
Enamine	EN300-74753

Database	Data ID
PubChem	51491571

M. W.

194.23036

CAS

Similarity

N/A

ID: 273410

2-[(4-oxopentyl)oxy]benzamide

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Enamine	EN300-74754

Database	Data ID
PubChem	43793448

M. W.

221.2524

CAS

Similarity

N/A

ID: 273411

2-amino-1-(4-fluorophenyl)propan-1-ol

$$$$ Data

M. F.

C9H12FNO

Suppliers	Catalog Number
Enamine	EN300-74755

Database	Data ID
PubChem	43209093

M. W.

169.1960832

CAS

Similarity

N/A

ID: 273412

4-amino-1,1,1-trifluorobutan-2-ol hydrochloride

$$$$ Data

M. F.

C4H9ClF3NO

Suppliers	Catalog Number
Enamine	EN300-74756

Database	Data ID
PubChem	54592832

M. W.

179.5685696

CAS

Similarity

N/A

ID: 273413

[4-(piperidin-1-yl)oxan-4-yl]methanamine dihydrochloride

$$$$ Data

M. F.

C11H24Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-74757

Database	Data ID
PubChem	54592833

M. W.

271.22706

CAS

Similarity

N/A

ID: 273414

2-(pyridin-2-yl)-1H-1,3-benzodiazol-5-amine dihydrochloride

$$$$ Data

M. F.

C12H12Cl2N4

Suppliers	Catalog Number
Enamine	EN300-74758

Database	Data ID
PubChem	54592834

M. W.

283.15648

CAS

Similarity

N/A

ID: 273415

3-(1,3-dioxolan-2-yl)-1-methylpiperidine

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Enamine	EN300-74759

Database	Data ID
PubChem	13566749

M. W.

171.23678

CAS

Similarity

N/A

ID: 273416

[3-(3-phenylpropoxy)phenyl]methanol

$$$$ Data

M. F.

C16H18O2

Suppliers	Catalog Number
Enamine	EN300-74760

Database	Data ID
PubChem	28562026

M. W.

242.31292

CAS

Similarity

N/A

ID: 273417

3-benzylazetidine hydrochloride

$$$$ Data

M. F.

C10H14ClN

Suppliers	Catalog Number
Enamine	EN300-74761

Database	Data ID
PubChem	54592835

M. W.

183.67786

CAS

Similarity

N/A

ID: 273418

methyl 4-chloroquinoline-2-carboxylate

$$$$ Data

M. F.

C11H8ClNO2

Suppliers	Catalog Number
Enamine	EN300-74763

Database	Data ID
PubChem	19066063

M. W.

221.63972

CAS

Similarity

N/A

ID: 273419

2-chloro-N-{[4-(pyrrolidin-1-ylmethyl)phenyl]methyl}acetamide hydrochloride

$$$$ Data

M. F.

C14H20Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-74764

Database	Data ID
PubChem	54592836

M. W.

303.2274

CAS

Similarity

N/A

ID: 273420

2-(2-chlorophenyl)-5-methylmorpholine hydrochloride

$$$$ Data

M. F.

C11H15Cl2NO

Suppliers	Catalog Number
Enamine	EN300-74770

Database	Data ID
PubChem	54592837

M. W.

248.1489

CAS

Similarity

N/A

ID: 273421

2-(2-chlorophenyl)-5,5-dimethylmorpholine hydrochloride

$$$$ Data

M. F.

C12H17Cl2NO

Suppliers	Catalog Number
Enamine	EN300-74771

Database	Data ID
PubChem	54592838

M. W.

262.17548

CAS

Similarity

N/A

ID: 273422

2-bromo-4-methoxy-1-nitrobenzene

$$$$ Data

M. F.

C7H6BrNO3

Suppliers	Catalog Number
Enamine	EN300-74773
A&J Pharmtech	AJA-O10171

Database	Data ID
PubChem	12966745

M. W.

232.03144

CAS

98447-30-4

Similarity

N/A

ID: 273423

1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione

$$$$ Data

M. F.

C7H9NO3

Suppliers	Catalog Number
Enamine	EN300-74774

Database	Data ID
PubChem	15637138

M. W.

155.15126

CAS

Similarity

N/A

ID: 273424

2-[(3-chlorophenyl)(furan-2-ylmethyl)amino]acetic acid

$$$$ Data

M. F.

C13H12ClNO3

Suppliers	Catalog Number
Enamine	EN300-74776

Database	Data ID
PubChem	39365223

M. W.

265.69228

CAS

Similarity

N/A

ID: 273425

1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol

$$$$ Data

M. F.

C9H21N3O

Suppliers	Catalog Number
Enamine	EN300-74778

Database	Data ID
PubChem	4713460

M. W.

187.28254

CAS

Similarity

N/A

ID: 273426

methyl 2-{[2-(dimethylamino)ethyl]amino}acetate

$$$$ Data

M. F.

C7H16N2O2

Suppliers	Catalog Number
Enamine	EN300-74782

Database	Data ID
PubChem	28595887

M. W.

160.21414

CAS

Similarity

N/A

ID: 273427

2-(2,5-difluorophenyl)ethan-1-amine

$$$$ Data

M. F.

C8H9F2N

Suppliers	Catalog Number
Enamine	EN300-74783

Database	Data ID
PubChem	5003428

M. W.

157.1605664

CAS

Similarity

N/A

ID: 273428

{3-[(cyclohexyloxy)methyl]phenyl}methanamine

$$$$ Data

M. F.

C14H21NO

Suppliers	Catalog Number
Enamine	EN300-74784

Database	Data ID
PubChem	16794079

M. W.

219.32264

CAS

Similarity

N/A

ID: 273429

1-(2-aminoethoxy)-2-(propan-2-yl)benzene hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Enamine	EN300-74789

Database	Data ID
PubChem	44665474

M. W.

215.71972

CAS

Similarity

N/A

ID: 273430

(2-methanesulfonylphenyl)hydrazine

$$$$ Data

M. F.

C7H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-74790

Database	Data ID
PubChem	328982

M. W.

186.2315

CAS

Similarity

N/A

ID: 273431

methyl 2-(cyclohexylformamido)-3-hydroxypropanoate

$$$$ Data

M. F.

C11H19NO4

Suppliers	Catalog Number
Enamine	EN300-74791

Database	Data ID
PubChem	4243111

M. W.

229.27286

CAS

Similarity

N/A

ID: 273432

3-(aminomethyl)cyclohexan-1-amine

$$$$ Data

M. F.

C7H16N2

Suppliers	Catalog Number
Enamine	EN300-74792

Database	Data ID
PubChem	22058132

M. W.

128.21534

CAS

Similarity

N/A

ID: 273433

1-cyclopropyl-N-methylpyrrolidin-3-amine

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
Enamine	EN300-74793

Database	Data ID
PubChem	43315354

M. W.

140.22604

CAS

Similarity

N/A

ID: 273434

N-methyl-1-azabicyclo[2.2.2]octan-3-amine

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
Enamine	EN300-74794

Database	Data ID
PubChem	19775384

M. W.

140.22604

CAS

Similarity

N/A

ID: 273435

2-amino-1,2-diphenylethan-1-one hydrochloride

$$$$ Data

M. F.

C14H14ClNO

Suppliers	Catalog Number
Enamine	EN300-74797

Database	Data ID
PubChem	12306985

M. W.

247.72006

CAS

Similarity

N/A

ID: 273436

tert-butyl N-[1-(2-hydroxyphenyl)propyl]carbamate

$$$$ Data

M. F.

C14H21NO3

Suppliers	Catalog Number
Enamine	EN300-74798

Database	Data ID
PubChem	54592839

M. W.

251.32144

CAS

Similarity

N/A

ID: 273437

1-[(tert-butoxy)carbonyl]azetidine-2-carboxylic acid

$$$$ Data

M. F.

C9H15NO4

Suppliers	Catalog Number
Enamine	EN300-74799
Bide Pharmatech	BD27664

Database	Data ID
PubChem	3623886

M. W.

201.2197

CAS

159749-28-7

Similarity

N/A

ID: 273438

3-(2-aminoethoxy)pyridine

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Enamine	EN300-74800
Bide Pharmatech	BD232463
A&J Pharmtech	AJA-O10091

Database	Data ID
PubChem	9793793

M. W.

138.1671

CAS

310880-25-2

Similarity

N/A

ID: 273439

N-(4-iodo-3-methoxyphenyl)acetamide

$$$$ Data

M. F.

C9H10INO2

Suppliers	Catalog Number
Enamine	EN300-74803

Database	Data ID
PubChem	52908304

M. W.

291.08567

CAS

Similarity

N/A

ID: 273440

5-(aminomethyl)-1,4,6-trimethyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

$$$$ Data

M. F.

C10H14N4O

Suppliers	Catalog Number
Enamine	EN300-74805

Database	Data ID
PubChem	54592840

M. W.

206.24436

CAS

Similarity

N/A

ID: 273441

6-(benzyloxy)quinoline

$$$$ Data

M. F.

C16H13NO

Suppliers	Catalog Number
Enamine	EN300-74806

Database	Data ID
PubChem	23156633

M. W.

235.28052

CAS

Similarity

N/A

ID: 273442

4-[(5-cyanopyridin-2-yl)oxy]benzoic acid

$$$$ Data

M. F.

C13H8N2O3

Suppliers	Catalog Number
Enamine	EN300-74809

Database	Data ID
PubChem	52175860

M. W.

240.21422

CAS

Similarity

N/A

ID: 273443

4-(2H-1,3-benzodioxol-5-yl)-3-(furan-2-yl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C14H10N2O4

Suppliers	Catalog Number
Enamine	EN300-74810

Database	Data ID
PubChem	43336150

M. W.

270.2402

CAS

Similarity

N/A

ID: 273444

4-(2H-1,3-benzodioxol-5-yl)-3-(furan-2-yl)-1-methyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C15H13N3O3

Suppliers	Catalog Number
Enamine	EN300-74811

Database	Data ID
PubChem	43336665

M. W.

283.28202

CAS

Similarity

N/A

ID: 273445

methyl 3-(2,2,2-trifluoroethoxy)benzoate

$$$$ Data

M. F.

C10H9F3O3

Suppliers	Catalog Number
Enamine	EN300-74812

Database	Data ID
PubChem	52908305

M. W.

234.1718696

CAS

Similarity

N/A

ID: 273446

1-[4-(2H-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C12H14ClN3O2

Suppliers	Catalog Number
Enamine	EN300-74813

Database	Data ID
PubChem	53525444

M. W.

267.71146

CAS

Similarity

N/A

ID: 273447

(5-chloro-1H-1,3-benzodiazol-2-yl)methanamine hydrochloride

$$$$ Data

M. F.

C8H9Cl2N3

Suppliers	Catalog Number
Enamine	EN300-74815

Database	Data ID
PubChem	54592841

M. W.

218.08316

CAS

Similarity

N/A

ID: 273448

1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid

$$$$ Data

M. F.

C10H8N2O3

Suppliers	Catalog Number
Enamine	EN300-74817

Database	Data ID
PubChem	569031

M. W.

204.18212

CAS

Similarity

N/A

ID: 273449

4-{[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}aniline

$$$$ Data

M. F.

C13H12N4

Suppliers	Catalog Number
Enamine	EN300-74818

Database	Data ID
PubChem	24704308

M. W.

224.26118

CAS

Similarity

N/A

ID: 273450

1-ethyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Enamine	EN300-74819

Database	Data ID
PubChem	12421492

M. W.

218.2087

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