Chembase list of 866358 unique molecular structures

3-(2-chlorophenoxy)azetidine hydrochloride

$$$$ Data

M. F.

C9H11Cl2NO

Suppliers	Catalog Number
Enamine	EN300-116008

Database	Data ID
PubChem	66591566

M. W.

220.09574

CAS

Similarity

N/A

ID: 242402

4-(3,4-dichlorophenyl)-5-[3-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C16H14Cl2N4S

Suppliers	Catalog Number
Enamine	EN300-11601

Database	Data ID
PubChem	2454986

M. W.

365.28016

CAS

Similarity

N/A

ID: 242403

N'-cyclopropyl-N-(4-fluorophenyl)benzenecarboximidamide

$$$$ Data

M. F.

C16H15FN2

Suppliers	Catalog Number
Enamine	EN300-116010

Database	Data ID
PubChem	8098182

M. W.

254.3021032

CAS

Similarity

N/A

ID: 242404

2-phenyloxan-4-ol

$$$$ Data

M. F.

C11H14O2

Suppliers	Catalog Number
Enamine	EN300-116011

Database	Data ID
PubChem	10329884

M. W.

178.22766

CAS

Similarity

N/A

ID: 242405

methyl 2-(4-fluorophenyl)-2-hydroxypropanoate

$$$$ Data

M. F.

C10H11FO3

Suppliers	Catalog Number
Enamine	EN300-116012

Database	Data ID
PubChem	11499388

M. W.

198.1909432

CAS

Similarity

N/A

ID: 242406

1-(2-methylpropyl)cyclobutane-1-carbonitrile

$$$$ Data

M. F.

C9H15N

Suppliers	Catalog Number
Enamine	EN300-116013

Database	Data ID
PubChem	65377661

M. W.

137.2221

CAS

Similarity

N/A

ID: 242407

1-phenyl-4-(trimethylsilyl)but-3-yn-2-ol

$$$$ Data

M. F.

C13H18OSi

Suppliers	Catalog Number
Enamine	EN300-116014

Database	Data ID
PubChem	15440675

M. W.

218.36692

CAS

Similarity

N/A

ID: 242408

1-phenyl-4-(trimethylsilyl)but-3-yn-2-one

$$$$ Data

M. F.

C13H16OSi

Suppliers	Catalog Number
Enamine	EN300-116015

Database	Data ID
PubChem	10867701

M. W.

216.35104

CAS

Similarity

N/A

ID: 242409

ethyl 2-(chloromethyl)-6-methylpyrimidine-4-carboxylate

$$$$ Data

M. F.

C9H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-116016

Database	Data ID
PubChem	71757013

M. W.

214.64884

CAS

Similarity

N/A

ID: 242410

1-(bromomethyl)-1-(methanesulfonylmethyl)cyclopropane

$$$$ Data

M. F.

C6H11BrO2S

Suppliers	Catalog Number
Enamine	EN300-116017

Database	Data ID
PubChem	65008218

M. W.

227.11934

CAS

Similarity

N/A

ID: 242411

1-bromo-3-(bromomethyl)-2-(difluoromethoxy)benzene

$$$$ Data

M. F.

C8H6Br2F2O

Suppliers	Catalog Number
Enamine	EN300-116018

Database	Data ID
PubChem	60982440

M. W.

315.9374464

CAS

Similarity

N/A

ID: 242412

2-[(4-chlorophenyl)methoxy]ethan-1-amine

$$$$ Data

M. F.

C9H12ClNO

Suppliers	Catalog Number
ChemBridge	9070890
Enamine	EN300-116020

Database	Data ID
PubChem	5151145

M. W.

185.65068

CAS

287179-98-0

Similarity

N/A

ID: 242413

4-chloro-N-hydroxybenzamide

$$$$ Data

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Enamine	EN300-116021

Database	Data ID
PubChem	587178

M. W.

171.58104

CAS

Similarity

N/A

ID: 242414

1-(3,5-dimethylcyclohexyl)ethan-1-one

$$$$ Data

M. F.

C10H18O

Suppliers	Catalog Number
Enamine	EN300-116023

Database	Data ID
PubChem	20266248

M. W.

154.24932

CAS

Similarity

N/A

ID: 242415

6-bromo-2-methylpyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H6BrNO2

Suppliers	Catalog Number
Enamine	EN300-116024
A&J Pharmtech	AJA-O36912

Database	Data ID
PubChem	71691567

M. W.

216.03204

CAS

1060805-97-1

Similarity

N/A

ID: 242416

1-(pyrimidin-2-ylmethyl)-1H-pyrazol-4-amine

$$$$ Data

M. F.

C8H9N5

Suppliers	Catalog Number
Enamine	EN300-116025

Database	Data ID
PubChem	62700110

M. W.

175.19056

CAS

Similarity

N/A

ID: 242417

3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride

$$$$ Data

M. F.

C9H9ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-116026

Database	Data ID
PubChem	71757014

M. W.

260.69736

CAS

Similarity

N/A

ID: 242418

3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride

$$$$ Data

M. F.

C9H7ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-116027

Database	Data ID
PubChem	71757015

M. W.

258.68148

CAS

Similarity

N/A

ID: 242419

3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride

$$$$ Data

M. F.

C8H7ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-116028

Database	Data ID
PubChem	71757016

M. W.

246.67078

CAS

Similarity

N/A

ID: 242420

3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride

$$$$ Data

M. F.

C12H7ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-116029

Database	Data ID
PubChem	71757017

M. W.

294.71358

CAS

Similarity

N/A

ID: 242421

2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C12H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-11603

Database	Data ID
PubChem	2454992

M. W.

263.31552

CAS

Similarity

N/A

ID: 242422

1-methyl-1H-pyrazolo[3,4-b]pyridine-5-sulfonyl chloride

$$$$ Data

M. F.

C7H6ClN3O2S

Suppliers	Catalog Number
Enamine	EN300-116030

Database	Data ID
PubChem	71757018

M. W.

231.65944

CAS

Similarity

N/A

ID: 242423

1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-sulfonyl chloride

$$$$ Data

M. F.

C9H10ClN3O2S

Suppliers	Catalog Number
Enamine	EN300-116031

Database	Data ID
PubChem	71757019

M. W.

259.7126

CAS

Similarity

N/A

ID: 242424

ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxobutanoate

$$$$ Data

M. F.

C11H19NO5

Suppliers	Catalog Number
ChemBridge	4067309
Enamine	EN300-116032

Database	Data ID
PubChem	11128564

M. W.

245.27226

CAS

67706-68-7

Similarity

N/A

ID: 242425

N-(butan-2-yl)-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C11H14N2S

Suppliers	Catalog Number
Enamine	EN300-11604

Database	Data ID
PubChem	591708

M. W.

206.30726

CAS

28291-73-8

Similarity

N/A

ID: 242426

1-(5-ethyl-4-methylthiophen-2-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H16ClNS

Suppliers	Catalog Number
Enamine	EN300-116041

Database	Data ID
PubChem	71757020

M. W.

205.74804

CAS

Similarity

N/A

ID: 242427

1-(3,4-dimethylbenzenesulfonyl)butan-2-amine

$$$$ Data

M. F.

C12H19NO2S

Suppliers	Catalog Number
Enamine	EN300-116042

Database	Data ID
PubChem	24263969

M. W.

241.34976

CAS

Similarity

N/A

ID: 242428

cyclohexyl (2S)-2-aminobutanoate hydrochloride

$$$$ Data

M. F.

C10H20ClNO2

Suppliers	Catalog Number
Enamine	EN300-116043

Database	Data ID
PubChem	71757022

M. W.

221.7243

CAS

Similarity

N/A

ID: 242429

1-(2,3-dihydro-1-benzofuran-3-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Enamine	EN300-116047

Database	Data ID
PubChem	53971645

M. W.

163.21632

CAS

Similarity

N/A

ID: 242430

6-methyl-1,6-diazaspiro[3.4]octane

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
Enamine	EN300-116049

Database	Data ID
PubChem	68237458

M. W.

126.19946

CAS

Similarity

N/A

ID: 242431

3-(phenylamino)-2-sulfanyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C14H11N3OS

Suppliers	Catalog Number
Enamine	EN300-11605

Database	Data ID
PubChem	976533

M. W.

269.32164

CAS

5958-14-5

Similarity

N/A

ID: 242432

6-methyl-1,6-diazaspiro[3.5]nonane

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
Enamine	EN300-116050

Database	Data ID
PubChem	71757023

M. W.

140.22604

CAS

Similarity

N/A

ID: 242433

7-chloro-3-(2-hydroxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C11H11ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-11606

Database	Data ID
PubChem	4837914

M. W.

270.73524

CAS

Similarity

N/A

ID: 242434

2-[4-(difluoromethyl)phenyl]acetic acid

$$$$ Data

M. F.

C9H8F2O2

Suppliers	Catalog Number
Enamine	EN300-116065

Database	Data ID
PubChem	55268127

M. W.

186.1554264

CAS

Similarity

N/A

ID: 242435

2-(1-chloroethyl)-5-(4-chlorophenyl)-1,3-oxazole

$$$$ Data

M. F.

C11H9Cl2NO

Suppliers	Catalog Number
Enamine	EN300-116066

Database	Data ID
PubChem	43144267

M. W.

242.10126

CAS

Similarity

N/A

ID: 242436

2-methanesulfinylpropan-1-amine

$$$$ Data

M. F.

C4H11NOS

Suppliers	Catalog Number
Enamine	EN300-116067

Database	Data ID
PubChem	53806283

M. W.

121.20124

CAS

Similarity

N/A

ID: 242437

2-ethyl-1,4-dihydroquinolin-4-one

$$$$ Data

M. F.

C11H11NO

Suppliers	Catalog Number
Enamine	EN300-116068

Database	Data ID
PubChem	10419657

M. W.

173.21114

CAS

Similarity

N/A

ID: 242438

4-chloro-2-ethylquinoline

$$$$ Data

M. F.

C11H10ClN

Suppliers	Catalog Number
Enamine	EN300-116069

Database	Data ID
PubChem	18954784

M. W.

191.6568

CAS

Similarity

N/A

ID: 242439

7-chloro-3-(3-ethoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C13H15ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-11607

Database	Data ID
PubChem	2455000

M. W.

298.7884

CAS

Similarity

N/A

ID: 242440

4-(4-methylpiperidin-1-yl)cyclohexan-1-amine

$$$$ Data

M. F.

C12H24N2

Suppliers	Catalog Number
Enamine	EN300-116070

Database	Data ID
PubChem	62807252

M. W.

196.33236

CAS

Similarity

N/A

ID: 242441

2-amino-3,4-difluorobenzonitrile

$$$$ Data

M. F.

C7H4F2N2

Suppliers	Catalog Number
Enamine	EN300-116071

Database	Data ID
PubChem	71651683

M. W.

154.1168664

CAS

Similarity

N/A

ID: 242442

4-methyl-4-phenylpiperidine-2,6-dione

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
Enamine	EN300-116073

Database	Data ID
PubChem	95854

M. W.

203.23712

CAS

Similarity

N/A

ID: 242443

2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole

$$$$ Data

M. F.

C11H8Cl3NO

Suppliers	Catalog Number
Enamine	EN300-116074

Database	Data ID
PubChem	43144272

M. W.

276.54632

CAS

Similarity

N/A

ID: 242444

N-[3-(methylamino)propyl]methanesulfonamide

$$$$ Data

M. F.

C5H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-116075

Database	Data ID
PubChem	23573809

M. W.

166.24186

CAS

Similarity

N/A

ID: 242445

6-methyl-4-oxo-1,4-dihydro-1,5-naphthyridine-3-carbonitrile

$$$$ Data

M. F.

C10H7N3O

Suppliers	Catalog Number
Enamine	EN300-116076

Database	Data ID
PubChem	58724294

M. W.

185.18208

CAS

Similarity

N/A

ID: 242446

2-methyl-3-oxo-2-azatricyclo[6.3.1.0⁴,¹²]dodeca...

$$$$ Data

M. F.

C12H8ClNO3S

Suppliers	Catalog Number
Enamine	EN300-116077

Database	Data ID
PubChem	16788381

M. W.

281.71482

CAS

Similarity

N/A

ID: 242447

2-chloro-1-methyl-1H-indole

$$$$ Data

M. F.

C9H8ClN

Suppliers	Catalog Number
Enamine	EN300-116078

Database	Data ID
PubChem	12380273

M. W.

165.61952

CAS

Similarity

N/A

ID: 242448

1-(4-bromobenzoyl)-4-(2-methoxyethyl)-1,4-diazepane

$$$$ Data

M. F.

C15H21BrN2O2

Suppliers	Catalog Number
Enamine	EN300-116080

Database	Data ID
PubChem	60775330

M. W.

341.24344

CAS

Similarity

N/A

ID: 242449

2-{4-methyl-2,5-dioxo-4-[4-(propan-2-yl)phenyl]imidazolidin-1-yl}acetic acid

$$$$ Data

M. F.

C15H18N2O4

Suppliers	Catalog Number
Enamine	EN300-116084

Database	Data ID
PubChem	16778313

M. W.

290.31442

CAS

Similarity

N/A

ID: 242450

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

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Enamine	EN300-116085

Database	Data ID
PubChem	12313545

M. W.

129.2001

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