Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Enamine	EN300-124546

Database	Data ID
PubChem	21955022

M. W.

190.28472

CAS

Similarity

N/A

ID: 246102

3-(oxane-4-carbonyl)pyridine

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Enamine	EN300-124547

Database	Data ID
PubChem	11321445

M. W.

191.22642

CAS

Similarity

N/A

ID: 246103

2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine

$$$$ Data

M. F.

C13H16F3N

Suppliers	Catalog Number
Enamine	EN300-124548

Database	Data ID
PubChem	62800999

M. W.

243.2680496

CAS

Similarity

N/A

ID: 246104

cyclopropyl[3-(trifluoromethyl)phenyl]methanone

$$$$ Data

M. F.

C11H9F3O

Suppliers	Catalog Number
Enamine	EN300-124549

Database	Data ID
PubChem	24724102

M. W.

214.1837696

CAS

Similarity

N/A

ID: 246105

(2E)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazol-4-yl]prop-...

$$$$ Data

M. F.

C16H16N2O4

Suppliers	Catalog Number
Enamine	EN300-12455

Database	Data ID
PubChem	6235460

M. W.

300.30924

CAS

Similarity

N/A

ID: 246106

2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one

$$$$ Data

M. F.

C14H15F3O

Suppliers	Catalog Number
Enamine	EN300-124550

Database	Data ID
PubChem	55120597

M. W.

256.2635096

CAS

Similarity

N/A

ID: 246107

N-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide

$$$$ Data

M. F.

C5H7N3O4S

Suppliers	Catalog Number
Enamine	EN300-124551

Database	Data ID
PubChem	43173134

M. W.

205.19178

CAS

Similarity

N/A

ID: 246108

[1-(2,4-dichlorophenyl)cyclohexyl]methanamine

$$$$ Data

M. F.

C13H17Cl2N

Suppliers	Catalog Number
Enamine	EN300-124552

Database	Data ID
PubChem	24274049

M. W.

258.18678

CAS

Similarity

N/A

ID: 246109

[1-(2,4-dichlorophenyl)cyclobutyl]methanamine

$$$$ Data

M. F.

C11H13Cl2N

Suppliers	Catalog Number
Enamine	EN300-124553

Database	Data ID
PubChem	24274046

M. W.

230.13362

CAS

Similarity

N/A

ID: 246110

2-amino-1,2,3,4-tetrahydroisoquinolin-1-one

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Enamine	EN300-124554

Database	Data ID
PubChem	190991

M. W.

162.1885

CAS

Similarity

N/A

ID: 246111

3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid

$$$$ Data

M. F.

C6H4N4O2

Suppliers	Catalog Number
Enamine	EN300-124555

Database	Data ID
PubChem	20373120

M. W.

164.12156

CAS

Similarity

N/A

ID: 246112

3,3-dimethylcyclobutan-1-amine hydrochloride

$$$$ Data

M. F.

C6H14ClN

Suppliers	Catalog Number
Enamine	EN300-124559

Database	Data ID
PubChem	71757882

M. W.

135.63506

CAS

Similarity

N/A

ID: 246113

ethyl 2-[4-(aminomethyl)-3,5-dimethyl-1H-pyrazol-1-yl]acetate hydrochloride

$$$$ Data

M. F.

C10H18ClN3O2

Suppliers	Catalog Number
Enamine	EN300-124561

Database	Data ID
PubChem	71757883

M. W.

247.72182

CAS

Similarity

N/A

ID: 246114

methyl 2,4,6-trimethyl-3-nitrobenzoate

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Enamine	EN300-124562

Database	Data ID
PubChem	10561037

M. W.

223.22522

CAS

Similarity

N/A

ID: 246115

ethyl 2,4,6-trimethyl-3-nitrobenzoate

$$$$ Data

M. F.

C12H15NO4

Suppliers	Catalog Number
Enamine	EN300-124563

Database	Data ID
PubChem	17796371

M. W.

237.2518

CAS

Similarity

N/A

ID: 246116

bromomethanesulfonyl bromide

$$$$ Data

M. F.

CH2Br2O2S

Suppliers	Catalog Number
Enamine	EN300-124564

Database	Data ID
PubChem	10977482

M. W.

237.89838

CAS

Similarity

N/A

ID: 246117

4-(4-methylpiperazin-1-yl)pyridine-2-carboximidamide hydrochloride

$$$$ Data

M. F.

C11H18ClN5

Suppliers	Catalog Number
Enamine	EN300-124565

Database	Data ID
PubChem	71757884

M. W.

255.74712

CAS

Similarity

N/A

ID: 246118

4-(1,3-thiazol-2-ylsulfanyl)pyridine-2-carboximidamide hydrochloride

$$$$ Data

M. F.

C9H9ClN4S2

Suppliers	Catalog Number
Enamine	EN300-124566

Database	Data ID
PubChem	71757885

M. W.

272.77756

CAS

Similarity

N/A

ID: 246119

4-chloro-3-methoxypyridin-2-ol

$$$$ Data

M. F.

C6H6ClNO2

Suppliers	Catalog Number
Enamine	EN300-124567

Database	Data ID
PubChem	71757886

M. W.

159.57034

CAS

Similarity

N/A

ID: 246120

(2-methyl-2,3-dihydro-1H-inden-2-yl)methanamine hydrochloride

$$$$ Data

M. F.

C11H16ClN

Suppliers	Catalog Number
Enamine	EN300-124569

Database	Data ID
PubChem	22152352

M. W.

197.70444

CAS

Similarity

N/A

ID: 246121

ethyl 2-[(2E)-4-(2-chloroacetyl)piperazin-2-ylidene]acetate

$$$$ Data

M. F.

C10H15ClN2O3

Suppliers	Catalog Number
Enamine	EN300-12457

Database	Data ID
PubChem	6235461

M. W.

246.6907

CAS

Similarity

N/A

ID: 246122

3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole hydrochloride

$$$$ Data

M. F.

C10H11ClFN

Suppliers	Catalog Number
Enamine	EN300-124570

Database	Data ID
PubChem	68787865

M. W.

199.6524432

CAS

Similarity

N/A

ID: 246123

[2-(methylsulfanyl)ethyl]thiourea

$$$$ Data

M. F.

C4H10N2S2

Suppliers	Catalog Number
Enamine	EN300-124572

Database	Data ID
PubChem	63965554

M. W.

150.2656

CAS

Similarity

N/A

ID: 246124

3-(4-hydroxyphenyl)-3-oxopropanoic acid

$$$$ Data

M. F.

C9H8O4

Suppliers	Catalog Number
Enamine	EN300-124573

Database	Data ID
PubChem	14496584

M. W.

180.15742

CAS

Similarity

N/A

ID: 246125

3-(4-methylphenyl)prop-2-yn-1-ol

$$$$ Data

M. F.

C10H10O

Suppliers	Catalog Number
Enamine	EN300-124574

Database	Data ID
PubChem	589715

M. W.

146.1858

CAS

Similarity

N/A

ID: 246126

3-(4-chlorophenyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C8H5ClN2O

Suppliers	Catalog Number
Enamine	EN300-124576

Database	Data ID
PubChem	2806669

M. W.

180.5911

CAS

Similarity

N/A

ID: 246127

1-methoxy-1-(4-methoxyphenyl)propan-2-amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-124577

Database	Data ID
PubChem	71757887

M. W.

231.71912

CAS

Similarity

N/A

ID: 246128

1-amino-3-[2-(methylsulfanyl)ethyl]thiourea

$$$$ Data

M. F.

C4H11N3S2

Suppliers	Catalog Number
Enamine	EN300-124580

Database	Data ID
PubChem	20526581

M. W.

165.28024

CAS

Similarity

N/A

ID: 246129

2-methyl-2-phenylpropanethioamide

$$$$ Data

M. F.

C10H13NS

Suppliers	Catalog Number
Enamine	EN300-124581

Database	Data ID
PubChem	59837413

M. W.

179.28192

CAS

Similarity

N/A

ID: 246130

2-aminoethanethioamide hydrochloride

$$$$ Data

M. F.

C2H7ClN2S

Suppliers	Catalog Number
Enamine	EN300-124586

Database	Data ID
PubChem	13760556

M. W.

126.60838

CAS

Similarity

N/A

ID: 246131

4-bromo-N-{[4-(trifluoromethyl)phenyl]methyl}aniline

$$$$ Data

M. F.

C14H11BrF3N

Suppliers	Catalog Number
Enamine	EN300-124587

Database	Data ID
PubChem	29565884

M. W.

330.1430496

CAS

Similarity

N/A

ID: 246132

2-methylpiperidine-4-carboxylic acid hydrochloride

$$$$ Data

M. F.

C7H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-124588

Database	Data ID
PubChem	71757888

M. W.

179.64456

CAS

Similarity

N/A

ID: 246133

1-methyl-4,5-dihydro-1H-pyrazol-3-amine hydrochloride

$$$$ Data

M. F.

C4H10ClN3

Suppliers	Catalog Number
Enamine	EN300-124589

Database	Data ID
PubChem	71757889

M. W.

135.5953

CAS

Similarity

N/A

ID: 246134

4-chloro-3-oxo-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]butanenitrile

$$$$ Data

M. F.

C11H7ClN2OS2

Suppliers	Catalog Number
Enamine	EN300-12459

Database	Data ID
PubChem	4961906

M. W.

282.76908

CAS

Similarity

N/A

ID: 246135

1,2-oxazol-5-ylmethanamine hydrochloride

$$$$ Data

M. F.

C4H7ClN2O

Suppliers	Catalog Number
Enamine	EN300-124590
A&J Pharmtech	AJA-O30141 AJA-O13762

Database	Data ID
PubChem	18442593

M. W.

134.56418

CAS

401647-18-5

Similarity

N/A

ID: 246136

imidazolidin-2-imine hydrobromide

$$$$ Data

M. F.

C3H8BrN3

Suppliers	Catalog Number
Enamine	EN300-124591

Database	Data ID
PubChem	458635

M. W.

166.01972

CAS

Similarity

N/A

ID: 246137

N-[(3,4-dimethoxyphenyl)methyl]cyclohexanamine hydrochloride

$$$$ Data

M. F.

C15H24ClNO2

Suppliers	Catalog Number
Enamine	EN300-124595

Database	Data ID
PubChem	24181987

M. W.

285.80956

CAS

Similarity

N/A

ID: 246138

bicyclo[2.2.1]heptan-2-ylhydrazine dihydrochloride

$$$$ Data

M. F.

C7H16Cl2N2

Suppliers	Catalog Number
Enamine	EN300-124597

Database	Data ID
PubChem	71757890

M. W.

199.12134

CAS

Similarity

N/A

ID: 246139

3-{11,13-dimethyl-1,8,10-triazatricyclo[7.4.0.0²,⁷]trideca...

$$$$ Data

M. F.

C15H15N3O2

Suppliers	Catalog Number
Enamine	EN300-12460

Database	Data ID
PubChem	4961907

M. W.

269.2985

CAS

Similarity

N/A

ID: 246140

(cyclopropylmethyl)({2-[4-(3-methylphenyl)piperazin-1-yl]ethyl})amine dihydrochl...

$$$$ Data

M. F.

C17H29Cl2N3

Suppliers	Catalog Number
Enamine	EN300-124609

Database	Data ID
PubChem	71757891

M. W.

346.33826

CAS

Similarity

N/A

ID: 246141

4-ethyl-3-methylaniline hydrochloride

$$$$ Data

M. F.

C9H14ClN

Suppliers	Catalog Number
Enamine	EN300-124615

Database	Data ID
PubChem	71757892

M. W.

171.66716

CAS

Similarity

N/A

ID: 246142

2-(1-chloroethyl)-1-methyl-4-nitrobenzene

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-124619

Database	Data ID
PubChem	71757893

M. W.

199.6342

CAS

Similarity

N/A

ID: 246143

dimethyl-1,2,4-triazine-3-thiol

$$$$ Data

M. F.

C5H7N3S

Suppliers	Catalog Number
Enamine	EN300-12462

Database	Data ID
PubChem	4028895

M. W.

141.19418

CAS

7274-58-0

Similarity

N/A

ID: 246144

methyl 5-(chlorosulfonyl)pyridine-2-carboxylate

$$$$ Data

M. F.

C7H6ClNO4S

Suppliers	Catalog Number
Enamine	EN300-124624

Database	Data ID
PubChem	55279599

M. W.

235.64484

CAS

Similarity

N/A

ID: 246145

2-methyloxan-4-amine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Enamine	EN300-124625

Database	Data ID
PubChem	23123995

M. W.

115.17352

CAS

Similarity

N/A

ID: 246146

5-(2-ethanesulfonamidoethyl)thiophene-2-sulfonamide

$$$$ Data

M. F.

C8H14N2O4S3

Suppliers	Catalog Number
Enamine	EN300-124626

Database	Data ID
PubChem	43134135

M. W.

298.40276

CAS

Similarity

N/A

ID: 246147

7,8-difluoro-1,2,3,4-tetrahydroquinoline

$$$$ Data

M. F.

C9H9F2N

Suppliers	Catalog Number
Enamine	EN300-124627

Database	Data ID
PubChem	61076449

M. W.

169.1712664

CAS

Similarity

N/A

ID: 246148

3-methoxy-2-methylspiro[3.3]heptan-1-one

$$$$ Data

M. F.

C9H14O2

Suppliers	Catalog Number
Enamine	EN300-124629

Database	Data ID
PubChem	71757894

M. W.

154.20626

CAS

Similarity

N/A

ID: 246149

2-(3-chlorophenoxy)-3-methylbutanoic acid

$$$$ Data

M. F.

C11H13ClO3

Suppliers	Catalog Number
Enamine	EN300-124630

Database	Data ID
PubChem	43176178

M. W.

228.67212

CAS

Similarity

N/A

ID: 246150

4-(3,4-dimethoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride

$$$$ Data

M. F.

C13H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-124632

Database	Data ID
PubChem	71757895

M. W.

255.74052

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