Chembase list of 866358 unique molecular structures

N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide

$$$$ Data

M. F.

C12H17NO3

Suppliers	Catalog Number
Enamine	EN300-113916

Database	Data ID
PubChem	59598542

M. W.

223.26828

CAS

Similarity

N/A

ID: 241402

2-{[1-(hydroxymethyl)cyclopentyl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C15H17NO3

Suppliers	Catalog Number
Enamine	EN300-113918

Database	Data ID
PubChem	71756779

M. W.

259.30038

CAS

Similarity

N/A

ID: 241403

1,2-dichloropentane

$$$$ Data

M. F.

C5H10Cl2

Suppliers	Catalog Number
Enamine	EN300-113919

Database	Data ID
PubChem	15481

M. W.

141.0389

CAS

Similarity

N/A

ID: 241404

4-chloro-2-(4-ethoxyphenyl)-5-(thiophen-2-yl)thieno[2,3-d]pyrimidine

$$$$ Data

M. F.

C18H13ClN2OS2

Suppliers	Catalog Number
Enamine	EN300-11392

Database	Data ID
PubChem	4961602

M. W.

372.89162

CAS

Similarity

N/A

ID: 241405

2-(2-methylphenoxy)cyclohexan-1-amine hydrochloride

$$$$ Data

M. F.

C13H20ClNO

Suppliers	Catalog Number
Enamine	EN300-113920

Database	Data ID
PubChem	71756780

M. W.

241.757

CAS

Similarity

N/A

ID: 241406

2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one

$$$$ Data

M. F.

C11H11F3O

Suppliers	Catalog Number
Enamine	EN300-113921

Database	Data ID
PubChem	11275955

M. W.

216.1996496

CAS

Similarity

N/A

ID: 241407

1-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-amine

$$$$ Data

M. F.

C10H10FN3

Suppliers	Catalog Number
Enamine	EN300-113922

Database	Data ID
PubChem	60866835

M. W.

191.2049032

CAS

Similarity

N/A

ID: 241408

3-(pyridin-4-yloxy)phenol

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Enamine	EN300-113924

Database	Data ID
PubChem	60871454

M. W.

187.19466

CAS

Similarity

N/A

ID: 241409

1-(2,6-dichlorophenyl)-2-methylpropan-1-one

$$$$ Data

M. F.

C10H10Cl2O

Suppliers	Catalog Number
Enamine	EN300-113926

Database	Data ID
PubChem	22953545

M. W.

217.0918

CAS

Similarity

N/A

ID: 241410

4-(5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzonitrile

$$$$ Data

M. F.

C16H11N3O

Suppliers	Catalog Number
Enamine	EN300-113927

Database	Data ID
PubChem	14231303

M. W.

261.27804

CAS

Similarity

N/A

ID: 241411

2-(pyrrolidin-2-yl)propan-2-ol

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Enamine	EN300-113928

Database	Data ID
PubChem	12732176

M. W.

129.2001

CAS

Similarity

N/A

ID: 241412

12-chloro-10-(thiophen-2-yl)-7-thia-9,11-diazatricyclo[6.4.0.0²,^...

$$$$ Data

M. F.

C13H9ClN2S2

Suppliers	Catalog Number
Enamine	EN300-11393

Database	Data ID
PubChem	2526639

M. W.

292.80696

CAS

Similarity

N/A

ID: 241413

2,7-dihydroxy-9H-fluoren-9-one

$$$$ Data

M. F.

C13H8O3

Suppliers	Catalog Number
Enamine	EN300-113938
A&J Pharmtech	AJA-O6626

Database	Data ID
PubChem	4354181

M. W.

212.20082

CAS

42523-29-5

Similarity

N/A

ID: 241414

4-chloro-2-[4-(difluoromethoxy)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidine

$$$$ Data

M. F.

C15H11ClF2N2OS

Suppliers	Catalog Number
Enamine	EN300-11394

Database	Data ID
PubChem	4961603

M. W.

340.7754464

CAS

Similarity

N/A

ID: 241415

4,4-dimethyl-5-oxohexanoic acid

$$$$ Data

M. F.

C8H14O3

Suppliers	Catalog Number
Enamine	EN300-113944

Database	Data ID
PubChem	12662650

M. W.

158.19496

CAS

Similarity

N/A

ID: 241416

2-{4-chloro-6-methyl-5-phenylthieno[2,3-d]pyrimidin-2-yl}pyridine

$$$$ Data

M. F.

C18H12ClN3S

Suppliers	Catalog Number
Enamine	EN300-11395

Database	Data ID
PubChem	4961604

M. W.

337.82598

CAS

Similarity

N/A

ID: 241417

4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine

$$$$ Data

M. F.

C11H13ClN2S

Suppliers	Catalog Number
Enamine	EN300-11396

Database	Data ID
PubChem	4961605

M. W.

240.75232

CAS

Similarity

N/A

ID: 241418

3-amino-N,N-diethyl-4-(4-ethylpiperazin-1-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C16H28N4O2S

Suppliers	Catalog Number
Enamine	EN300-11397

Database	Data ID
PubChem	4961606

M. W.

340.48412

CAS

Similarity

N/A

ID: 241419

3-hydroxybicyclo[1.1.1]pentane-1-carboxylic acid

$$$$ Data

M. F.

C6H8O3

Suppliers	Catalog Number
Enamine	EN300-113972

Database	Data ID
PubChem	15579848

M. W.

128.12592

CAS

Similarity

N/A

ID: 241420

2-[3-(morpholin-4-yl)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic aci...

$$$$ Data

M. F.

C16H18N2O5

Suppliers	Catalog Number
Enamine	EN300-11398

Database	Data ID
PubChem	2148149

M. W.

318.32452

CAS

Similarity

N/A

ID: 241421

2-(prop-2-en-1-yl)-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C10H11ClN2

Suppliers	Catalog Number
Enamine	EN300-113984

Database	Data ID
PubChem	71756781

M. W.

194.66074

CAS

Similarity

N/A

ID: 241422

2-chloro-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide

$$$$ Data

M. F.

C11H10Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-11399

Database	Data ID
PubChem	2578225

M. W.

257.1159

CAS

Similarity

N/A

ID: 241423

1-(2,4-difluorophenyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H6F2N2O2

Suppliers	Catalog Number
Enamine	EN300-113993

Database	Data ID
PubChem	14994496

M. W.

224.1636464

CAS

Similarity

N/A

ID: 241424

3-amino-1-benzylpyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Enamine	EN300-113995
Bide Pharmatech	BD14129
A&J Pharmtech	AJA-O31149

Database	Data ID
PubChem	10857011

M. W.

220.26764

CAS

145602-87-5

Similarity

N/A

ID: 241425

tert-butyl 1-aminocyclohexane-1-carboxylate

$$$$ Data

M. F.

C11H21NO2

Suppliers	Catalog Number
Enamine	EN300-113996

Database	Data ID
PubChem	60911834

M. W.

199.28994

CAS

Similarity

N/A

ID: 241426

2-cyano-3-ethoxyprop-2-enoic acid

$$$$ Data

M. F.

C6H7NO3

Suppliers	Catalog Number
Enamine	EN300-113997

Database	Data ID
PubChem	6166165

M. W.

141.12468

CAS

Similarity

N/A

ID: 241427

1-cyclopropyl-decahydro-1,6-naphthyridine

$$$$ Data

M. F.

C11H20N2

Suppliers	Catalog Number
Enamine	EN300-113998

Database	Data ID
PubChem	71756782

M. W.

180.2899

CAS

Similarity

N/A

ID: 241428

2-amino-N-methylcyclohexane-1-carboxamide

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
Enamine	EN300-113999

Database	Data ID
PubChem	13697510

M. W.

156.22544

CAS

Similarity

N/A

ID: 241429

5-chloro-2-(4-ethylpiperazin-1-yl)aniline

$$$$ Data

M. F.

C12H18ClN3

Suppliers	Catalog Number
Enamine	EN300-11400

Database	Data ID
PubChem	2566080

M. W.

239.74442

CAS

Similarity

N/A

ID: 241430

1-(2-methoxyethyl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C7H12O3

Suppliers	Catalog Number
Enamine	EN300-114000

Database	Data ID
PubChem	66023970

M. W.

144.16838

CAS

Similarity

N/A

ID: 241431

3-iodo-1H-thieno[3,2-c]pyrazole

$$$$ Data

M. F.

C5H3IN2S

Suppliers	Catalog Number
Enamine	EN300-114003

Database	Data ID
PubChem	57637295

M. W.

250.06019

CAS

Similarity

N/A

ID: 241432

1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-4-ol

$$$$ Data

M. F.

C10H13NO3S

Suppliers	Catalog Number
Enamine	EN300-114004

Database	Data ID
PubChem	64310222

M. W.

227.28012

CAS

Similarity

N/A

ID: 241433

1-[4-(trifluoromethoxy)phenyl]piperidin-4-one

$$$$ Data

M. F.

C12H12F3NO2

Suppliers	Catalog Number
Enamine	EN300-114007

Database	Data ID
PubChem	23081588

M. W.

259.2243896

CAS

Similarity

N/A

ID: 241434

2-chloro-N-{4-[(2,5-dimethylphenyl)sulfanyl]phenyl}acetamide

$$$$ Data

M. F.

C16H16ClNOS

Suppliers	Catalog Number
Enamine	EN300-11401

Database	Data ID
PubChem	2566138

M. W.

305.82234

CAS

Similarity

N/A

ID: 241435

1-(4-methylpyridin-2-yl)-1H-pyrazole-4-sulfonyl chloride

$$$$ Data

M. F.

C9H8ClN3O2S

Suppliers	Catalog Number
Enamine	EN300-114010

Database	Data ID
PubChem	61733263

M. W.

257.69672

CAS

Similarity

N/A

ID: 241436

4-aminoquinoline-2-carboxylic acid

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Enamine	EN300-114011

Database	Data ID
PubChem	22503957

M. W.

188.18272

CAS

Similarity

N/A

ID: 241437

2-(chloromethyl)-N-ethylpyridin-4-amine hydrochloride

$$$$ Data

M. F.

C8H12Cl2N2

Suppliers	Catalog Number
Enamine	EN300-114012

Database	Data ID
PubChem	71756783

M. W.

207.10028

CAS

Similarity

N/A

ID: 241438

1-(4-{[4-(ethylamino)pyridin-2-yl]methyl}piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C14H22N4O

Suppliers	Catalog Number
Enamine	EN300-114013

Database	Data ID
PubChem	71756785

M. W.

262.35068

CAS

Similarity

N/A

ID: 241439

1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine

$$$$ Data

M. F.

C10H10ClN3

Suppliers	Catalog Number
Enamine	EN300-114014

Database	Data ID
PubChem	60867010

M. W.

207.6595

CAS

Similarity

N/A

ID: 241440

1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid dihydroc...

$$$$ Data

M. F.

C12H21Cl2F3N2O2

Suppliers	Catalog Number
Enamine	EN300-114015

Database	Data ID
PubChem	71756786

M. W.

353.2085496

CAS

Similarity

N/A

ID: 241441

1-(4-tert-butylphenyl)cyclobutan-1-amine

$$$$ Data

M. F.

C14H21N

Suppliers	Catalog Number
Enamine	EN300-114016
A&J Pharmtech	AJA-O19414

Database	Data ID
PubChem	43378546

M. W.

203.32324

CAS

Similarity

N/A

ID: 241442

2-(pyrrolidin-1-yl)aniline hydrochloride

$$$$ Data

M. F.

C10H15ClN2

Suppliers	Catalog Number
Enamine	EN300-11402

Database	Data ID
PubChem	16245908

M. W.

198.6925

CAS

21627-58-7

Similarity

N/A

ID: 241443

4-hydroxy-3,4-dihydro-2H-1λ⁶-benzothiopyran-1,1-dione

$$$$ Data

M. F.

C9H10O3S

Suppliers	Catalog Number
Enamine	EN300-114020

Database	Data ID
PubChem	15270236

M. W.

198.2389

CAS

Similarity

N/A

ID: 241444

4-chloro-2-ethoxybenzonitrile

$$$$ Data

M. F.

C9H8ClNO

Suppliers	Catalog Number
Enamine	EN300-114021

Database	Data ID
PubChem	22721189

M. W.

181.61892

CAS

Similarity

N/A

ID: 241445

2-(chloromethyl)-5-phenyl-1,3-thiazole

$$$$ Data

M. F.

C10H8ClNS

Suppliers	Catalog Number
Enamine	EN300-114022

Database	Data ID
PubChem	46785018

M. W.

209.69522

CAS

Similarity

N/A

ID: 241446

1-chloro-3-(3-chloroprop-1-yn-1-yl)benzene

$$$$ Data

M. F.

C9H6Cl2

Suppliers	Catalog Number
Enamine	EN300-114024

Database	Data ID
PubChem	61808733

M. W.

185.04994

CAS

Similarity

N/A

ID: 241447

3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Enamine	EN300-114025

Database	Data ID
PubChem	13248995

M. W.

175.23032

CAS

Similarity

N/A

ID: 241448

N-cyclopropylpyrrolidin-3-amine

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
Enamine	EN300-114026

Database	Data ID
PubChem	21664197

M. W.

126.19946

CAS

Similarity

N/A

ID: 241449

5-(aminomethyl)-2-chloroaniline dihydrochloride

$$$$ Data

M. F.

C7H11Cl3N2

Suppliers	Catalog Number
Enamine	EN300-114028

Database	Data ID
PubChem	13465098

M. W.

229.53464

CAS

Similarity

N/A

ID: 241450

5-(tert-butylamino)pyridine-2-carboximidamide dihydrochloride

$$$$ Data

M. F.

C10H18Cl2N4

Suppliers	Catalog Number
Enamine	EN300-114029

Database	Data ID
PubChem	71756787

M. W.

265.18272

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