Chembase list of 866358 unique molecular structures

1-(3-methoxyphenyl)-2-methylpropan-2-amine

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Enamine	EN300-117132
A&J Pharmtech	AJA-O21115

Database	Data ID
PubChem	24259119

M. W.

179.25878

CAS

198226-66-3

Similarity

N/A

ID: 243002

(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethan-1-ol

$$$$ Data

M. F.

C6H9NOS

Suppliers	Catalog Number
Enamine	EN300-117135

Database	Data ID
PubChem	63365053

M. W.

143.20676

CAS

Similarity

N/A

ID: 243003

(1R)-1-(4,4-dimethylcyclohexyl)ethan-1-ol

$$$$ Data

M. F.

C10H20O

Suppliers	Catalog Number
Enamine	EN300-117136

Database	Data ID
PubChem	71757139

M. W.

156.2652

CAS

Similarity

N/A

ID: 243004

2-methanesulfonylpropan-1-amine

$$$$ Data

M. F.

C4H11NO2S

Suppliers	Catalog Number
Enamine	EN300-117137

Database	Data ID
PubChem	54446112

M. W.

137.20064

CAS

Similarity

N/A

ID: 243005

2-{bicyclo[2.2.1]heptan-2-yl}ethan-1-ol

$$$$ Data

M. F.

C9H16O

Suppliers	Catalog Number
Enamine	EN300-117138

Database	Data ID
PubChem	3586567

M. W.

140.22274

CAS

Similarity

N/A

ID: 243006

bicyclo[4.1.0]heptan-2-amine hydrochloride

$$$$ Data

M. F.

C7H14ClN

Suppliers	Catalog Number
Enamine	EN300-117141

Database	Data ID
PubChem	3060811

M. W.

147.64576

CAS

Similarity

N/A

ID: 243007

2-(7-methoxynaphthalen-1-yl)acetic acid

$$$$ Data

M. F.

C13H12O3

Suppliers	Catalog Number
Enamine	EN300-117148
Bide Pharmatech	BD231648
A&J Pharmtech	AJA-O10618

Database	Data ID
PubChem	13570105

M. W.

216.23258

CAS

6836-22-2

Similarity

N/A

ID: 243008

4-(furan-2-yl)-2-sulfanyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

$$$$ Data

M. F.

C13H10N2OS

Suppliers	Catalog Number
Enamine	EN300-11715

Database	Data ID
PubChem	2535108

M. W.

242.2963

CAS

Similarity

N/A

ID: 243009

ethyl 5-amino-1-benzothiophene-2-carboxylate hydrochloride

$$$$ Data

M. F.

C11H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-117151

Database	Data ID
PubChem	69951760

M. W.

257.73648

CAS

Similarity

N/A

ID: 243010

2-amino-1-phenylpentan-1-one hydrochloride

$$$$ Data

M. F.

C11H16ClNO

Suppliers	Catalog Number
Enamine	EN300-117152

Database	Data ID
PubChem	54603733

M. W.

213.70384

CAS

Similarity

N/A

ID: 243011

2-(3,6-dihydro-2H-pyran-4-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C7H14ClNO

Suppliers	Catalog Number
Enamine	EN300-117153

Database	Data ID
PubChem	71757140

M. W.

163.64516

CAS

Similarity

N/A

ID: 243012

2-[(3-chlorophenyl)methoxy]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H13Cl2NO

Suppliers	Catalog Number
Enamine	EN300-117156

Database	Data ID
PubChem	71757142

M. W.

222.11162

CAS

Similarity

N/A

ID: 243013

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

$$$$ Data

M. F.

C9H13Cl2NO

Suppliers	Catalog Number
Enamine	EN300-117157

Database	Data ID
PubChem	17385239

M. W.

222.11162

CAS

Similarity

N/A

ID: 243014

2-[(3-methoxyphenyl)methoxy]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C10H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-117158

Database	Data ID
PubChem	71757143

M. W.

217.69254

CAS

Similarity

N/A

ID: 243015

2-bromo-1-(4-methylpiperazin-1-yl)ethan-1-one hydrobromide

$$$$ Data

M. F.

C7H14Br2N2O

Suppliers	Catalog Number
Enamine	EN300-117159

Database	Data ID
PubChem	71757144

M. W.

302.00686

CAS

Similarity

N/A

ID: 243016

4-(furan-2-yl)-5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

$$$$ Data

M. F.

C14H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-11716

Database	Data ID
PubChem	2535105

M. W.

270.3064

CAS

Similarity

N/A

ID: 243017

3-amino-2-(4-fluorophenoxy)propanoic acid hydrochloride

$$$$ Data

M. F.

C9H11ClFNO3

Suppliers	Catalog Number
Enamine	EN300-117160

Database	Data ID
PubChem	71757145

M. W.

235.6399432

CAS

Similarity

N/A

ID: 243018

2-(2-phenyl-1H-indol-1-yl)acetic acid

$$$$ Data

M. F.

C16H13NO2

Suppliers	Catalog Number
Enamine	EN300-11717

Database	Data ID
PubChem	4303053

M. W.

251.27992

CAS

62663-25-6

Similarity

N/A

ID: 243019

4-chloro-2-hydrazinylpyridine

$$$$ Data

M. F.

C5H6ClN3

Suppliers	Catalog Number
Enamine	EN300-117171

Database	Data ID
PubChem	45079631

M. W.

143.57424

CAS

Similarity

N/A

ID: 243020

methyl 2-chloro-4,4-difluoro-3-oxobutanoate

$$$$ Data

M. F.

C5H5ClF2O3

Suppliers	Catalog Number
Enamine	EN300-117179

Database	Data ID
PubChem	13280809

M. W.

186.5412064

CAS

Similarity

N/A

ID: 243021

1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C18H16N2O

Suppliers	Catalog Number
Enamine	EN300-11718

Database	Data ID
PubChem	2063316

M. W.

276.33244

CAS

Similarity

N/A

ID: 243022

7-fluoro-3-methyl-1λ⁶-benzothiophene-1,1-dione

$$$$ Data

M. F.

C9H7FO2S

Suppliers	Catalog Number
Enamine	EN300-117184

Database	Data ID
PubChem	71757146

M. W.

198.2140832

CAS

Similarity

N/A

ID: 243023

4-iodo-2-methyl-1-nitrobenzene

$$$$ Data

M. F.

C7H6INO2

Suppliers	Catalog Number
Enamine	EN300-117185

Database	Data ID
PubChem	13406452

M. W.

263.03251

CAS

Similarity

N/A

ID: 243024

2-(azidomethyl)-1,3-benzoxazole

$$$$ Data

M. F.

C8H6N4O

Suppliers	Catalog Number
Enamine	EN300-117186

Database	Data ID
PubChem	22912893

M. W.

174.15944

CAS

Similarity

N/A

ID: 243025

3,4,6-trichloro-2-nitrophenol

$$$$ Data

M. F.

C6H2Cl3NO3

Suppliers	Catalog Number
Enamine	EN300-117188

Database	Data ID
PubChem	6718

M. W.

242.44398

CAS

Similarity

N/A

ID: 243026

N-(2-hydroxypropyl)acetamide

$$$$ Data

M. F.

C5H11NO2

Suppliers	Catalog Number
Enamine	EN300-117189

Database	Data ID
PubChem	267571

M. W.

117.14634

CAS

Similarity

N/A

ID: 243027

1-benzyl-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C19H18N2O

Suppliers	Catalog Number
Enamine	EN300-11719

Database	Data ID
PubChem	2535163

M. W.

290.35902

CAS

Similarity

N/A

ID: 243028

1-chloro-2-ethynyl-4-methoxybenzene

$$$$ Data

M. F.

C9H7ClO

Suppliers	Catalog Number
Enamine	EN300-117191

Database	Data ID
PubChem	63034201

M. W.

166.60428

CAS

Similarity

N/A

ID: 243029

7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline

$$$$ Data

M. F.

C10H12BrN

Suppliers	Catalog Number
Enamine	EN300-117192

Database	Data ID
PubChem	71757147

M. W.

226.11298

CAS

Similarity

N/A

ID: 243030

6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one

$$$$ Data

M. F.

C8H9N3O

Suppliers	Catalog Number
Enamine	EN300-117193

Database	Data ID
PubChem	55252940

M. W.

163.17656

CAS

Similarity

N/A

ID: 243031

ethyl 3-bromo-5-sulfamoylbenzoate

$$$$ Data

M. F.

C9H10BrNO4S

Suppliers	Catalog Number
Enamine	EN300-117194

Database	Data ID
PubChem	63839339

M. W.

308.149

CAS

Similarity

N/A

ID: 243032

3-bromo-6-(trifluoromethyl)pyridazine

$$$$ Data

M. F.

C5H2BrF3N2

Suppliers	Catalog Number
Enamine	EN300-117196

Database	Data ID
PubChem	22915376

M. W.

226.9819896

CAS

Similarity

N/A

ID: 243033

2,6-dichloro-4-cyanobenzoic acid

$$$$ Data

M. F.

C8H3Cl2NO2

Suppliers	Catalog Number
Enamine	EN300-117197

Database	Data ID
PubChem	17855060

M. W.

216.02092

CAS

Similarity

N/A

ID: 243034

tert-butyl N-(3-amino-4-methylphenyl)carbamate

$$$$ Data

M. F.

C12H18N2O2

Suppliers	Catalog Number
Enamine	EN300-117199
A&J Pharmtech	AJA-O33732

Database	Data ID
PubChem	24699786

M. W.

222.28352

CAS

660838-05-1

Similarity

N/A

ID: 243035

1-(difluoromethyl)-2-methyl-1H-1,3-benzodiazole

$$$$ Data

M. F.

C9H8F2N2

Suppliers	Catalog Number
Enamine	EN300-11720

Database	Data ID
PubChem	722124

M. W.

182.1700264

CAS

84941-16-2

Similarity

N/A

ID: 243036

2,6-dichloro-[1,3]oxazolo[4,5-b]pyridine

$$$$ Data

M. F.

C6H2Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-117200

Database	Data ID
PubChem	71757148

M. W.

188.99888

CAS

Similarity

N/A

ID: 243037

7-methoxy-1,2-dihydroisoquinolin-1-one

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Enamine	EN300-117201
A&J Pharmtech	AJA-O37735

Database	Data ID
PubChem	12643530

M. W.

175.18396

CAS

16027-16-0

Similarity

N/A

ID: 243038

1-bromo-3-[(propan-2-yloxy)methyl]benzene

$$$$ Data

M. F.

C10H13BrO

Suppliers	Catalog Number
Enamine	EN300-117202

Database	Data ID
PubChem	57573841

M. W.

229.11362

CAS

Similarity

N/A

ID: 243039

1-bromo-3-[(2-methoxyethoxy)methyl]benzene

$$$$ Data

M. F.

C10H13BrO2

Suppliers	Catalog Number
Enamine	EN300-117203

Database	Data ID
PubChem	53211397

M. W.

245.11302

CAS

Similarity

N/A

ID: 243040

4-methoxybutan-2-ol

$$$$ Data

M. F.

C5H12O2

Suppliers	Catalog Number
Enamine	EN300-117204

Database	Data ID
PubChem	12651695

M. W.

104.14758

CAS

Similarity

N/A

ID: 243041

4-chloro-5-iodo-2-methylpyrimidine

$$$$ Data

M. F.

C5H4ClIN2

Suppliers	Catalog Number
Enamine	EN300-117206

Database	Data ID
PubChem	13636517

M. W.

254.45613

CAS

Similarity

N/A

ID: 243042

4-oxopiperidine-1-carbaldehyde

$$$$ Data

M. F.

C6H9NO2

Suppliers	Catalog Number
Enamine	EN300-117207

Database	Data ID
PubChem	18913725

M. W.

127.14116

CAS

Similarity

N/A

ID: 243043

[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanol

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Enamine	EN300-117208

Database	Data ID
PubChem	24275993

M. W.

181.2316

CAS

Similarity

N/A

ID: 243044

2-({[1-(difluoromethyl)-1H-imidazol-2-yl]methyl}(1,1-dioxo-1λ⁶-thiol...

$$$$ Data

M. F.

C11H15F2N3O4S

Suppliers	Catalog Number
Enamine	EN300-117209

Database	Data ID
PubChem	60839390

M. W.

323.3163064

CAS

Similarity

N/A

ID: 243045

2-(methylamino)-1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one hydrochl...

$$$$ Data

M. F.

C15H24ClN3O

Suppliers	Catalog Number
Enamine	EN300-11721

Database	Data ID
PubChem	43810429

M. W.

297.82356

CAS

Similarity

N/A

ID: 243046

methyl 2-cyano-3-methylbenzoate

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Enamine	EN300-117210

Database	Data ID
PubChem	22343213

M. W.

175.18396

CAS

Similarity

N/A

ID: 243047

6-ethoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

$$$$ Data

M. F.

C8H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-117211

Database	Data ID
PubChem	16780021

M. W.

196.22632

CAS

Similarity

N/A

ID: 243048

3-amino-4-(4H-1,2,4-triazol-4-yl)benzoic acid

$$$$ Data

M. F.

C9H8N4O2

Suppliers	Catalog Number
Enamine	EN300-117212

Database	Data ID
PubChem	63117206

M. W.

204.18542

CAS

Similarity

N/A

ID: 243049

2-(3-ethyl-1H-1,2,4-triazol-5-yl)aniline

$$$$ Data

M. F.

C10H12N4

Suppliers	Catalog Number
Enamine	EN300-117213

Database	Data ID
PubChem	40067094

M. W.

188.22908

CAS

Similarity

N/A

ID: 243050

(propan-2-yl)[2-(1,3-thiazol-2-yl)ethyl]amine

$$$$ Data

M. F.

C8H14N2S

Suppliers	Catalog Number
Enamine	EN300-117215

Database	Data ID
PubChem	63242600

M. W.

170.27516

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