Chembase list of 866358 unique molecular structures

(1S)-1-(3,4-dichlorophenyl)ethan-1-amine

$$$$ Data

M. F.

C8H9Cl2N

Suppliers	Catalog Number
Enamine	EN300-53085

Database	Data ID
PubChem	793512

M. W.

190.06976

CAS

Similarity

N/A

ID: 262602

(1S)-1-(2-chlorophenyl)ethan-1-amine

$$$$ Data

M. F.

C8H10ClN

Suppliers	Catalog Number
Enamine	EN300-53086

Database	Data ID
PubChem	1551199

M. W.

155.6247

CAS

Similarity

N/A

ID: 262603

(1R)-1-(2-chlorophenyl)ethan-1-amine

$$$$ Data

M. F.

C8H10ClN

Suppliers	Catalog Number
Enamine	EN300-53087

Database	Data ID
PubChem	2507686

M. W.

155.6247

CAS

Similarity

N/A

ID: 262604

(2S)-2-amino-2-[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]acetic acid

$$$$ Data

M. F.

C8H10F3NO2

Suppliers	Catalog Number
Enamine	EN300-53088

Database	Data ID
PubChem	16228663

M. W.

209.1657096

CAS

Similarity

N/A

ID: 262605

2-chloro-5-methoxypyridine

$$$$ Data

M. F.

C6H6ClNO

Suppliers	Catalog Number
Enamine	EN300-53092
A&J Pharmtech	AJA-O29461

Database	Data ID
PubChem	15169000

M. W.

143.57094

CAS

139585-48-1

Similarity

N/A

ID: 262606

(1,2,3,4-tetrahydronaphthalen-1-yl)urea

$$$$ Data

M. F.

C11H14N2O

Suppliers	Catalog Number
Enamine	EN300-53094

Database	Data ID
PubChem	13037020

M. W.

190.24166

CAS

Similarity

N/A

ID: 262607

methyl 1,1-dioxo-3-phenyl-4H-1λ⁶,2,4-benzothiadiazine-7-carboxylate

$$$$ Data

M. F.

C15H12N2O4S

Suppliers	Catalog Number
Enamine	EN300-53095

Database	Data ID
PubChem	45792111

M. W.

316.33178

CAS

Similarity

N/A

ID: 262608

6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C18H11BrClNO2

Suppliers	Catalog Number
Enamine	EN300-53096

Database	Data ID
PubChem	16776757

M. W.

388.64244

CAS

Similarity

N/A

ID: 262609

6-bromo-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C19H11BrF3NO2

Suppliers	Catalog Number
Enamine	EN300-53097

Database	Data ID
PubChem	16778486

M. W.

422.1953496

CAS

Similarity

N/A

ID: 262610

6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C19H14BrNO2

Suppliers	Catalog Number
Enamine	EN300-53098

Database	Data ID
PubChem	16772352

M. W.

368.22396

CAS

Similarity

N/A

ID: 262611

6-bromo-2-[(E)-2-(3-methylphenyl)ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C19H14BrNO2

Suppliers	Catalog Number
Enamine	EN300-53099

Database	Data ID
PubChem	16771483

M. W.

368.22396

CAS

Similarity

N/A

ID: 262612

6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C19H14BrNO3

Suppliers	Catalog Number
Enamine	EN300-53100

Database	Data ID
PubChem	16776403

M. W.

384.22336

CAS

Similarity

N/A

ID: 262613

6-bromo-2-[(E)-2-(4-ethylphenyl)ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C20H16BrNO2

Suppliers	Catalog Number
Enamine	EN300-53101

Database	Data ID
PubChem	16774010

M. W.

382.25054

CAS

Similarity

N/A

ID: 262614

6-bromo-2-[(E)-2-(4-bromophenyl)ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C18H11Br2NO2

Suppliers	Catalog Number
Enamine	EN300-53102

Database	Data ID
PubChem	16775433

M. W.

433.09344

CAS

Similarity

N/A

ID: 262615

6-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C18H11BrFNO2

Suppliers	Catalog Number
Enamine	EN300-53103

Database	Data ID
PubChem	16776819

M. W.

372.1878432

CAS

Similarity

N/A

ID: 262616

6-bromo-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C19H11BrF3NO2

Suppliers	Catalog Number
Enamine	EN300-53104

Database	Data ID
PubChem	16775277

M. W.

422.1953496

CAS

Similarity

N/A

ID: 262617

6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C19H14BrNO2

Suppliers	Catalog Number
Enamine	EN300-53105

Database	Data ID
PubChem	16774282

M. W.

368.22396

CAS

Similarity

N/A

ID: 262618

N-cyclopentyl-2-hydroxy-N-methylbenzamide

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Enamine	EN300-53106

Database	Data ID
PubChem	43243152

M. W.

219.27958

CAS

Similarity

N/A

ID: 262619

3-(5-amino-2-methoxyphenyl)-1-(2-methoxyphenyl)urea

$$$$ Data

M. F.

C15H17N3O3

Suppliers	Catalog Number
Enamine	EN300-53107

Database	Data ID
PubChem	16773209

M. W.

287.31378

CAS

Similarity

N/A

ID: 262620

2-(4-amino-3-methylphenoxy)ethan-1-ol

$$$$ Data

M. F.

C9H13NO2

Suppliers	Catalog Number
Enamine	EN300-53108

Database	Data ID
PubChem	459259

M. W.

167.20502

CAS

Similarity

N/A

ID: 262621

1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C18H15NO3

Suppliers	Catalog Number
Enamine	EN300-53109

Database	Data ID
PubChem	20116387

M. W.

293.3166

CAS

Similarity

N/A

ID: 262622

6-bromo-2-[(E)-2-(4-tert-butylphenyl)ethenyl]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C22H20BrNO2

Suppliers	Catalog Number
Enamine	EN300-53110

Database	Data ID
PubChem	16770735

M. W.

410.3037

CAS

Similarity

N/A

ID: 262623

3-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C12H8N2O2

Suppliers	Catalog Number
Enamine	EN300-53111

Database	Data ID
PubChem	43121470

M. W.

212.20412

CAS

Similarity

N/A

ID: 262624

3-(1-benzofuran-2-yl)-1-methyl-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C13H10N2O2

Suppliers	Catalog Number
Enamine	EN300-53112

Database	Data ID
PubChem	43141299

M. W.

226.2307

CAS

Similarity

N/A

ID: 262625

3-methylpyrrolidine

$$$$ Data

M. F.

C5H11N

Suppliers	Catalog Number
Enamine	EN300-53114
A&J Pharmtech	AJA-O25602

Database	Data ID
PubChem	118158

M. W.

85.14754

CAS

34375-89-8

Similarity

N/A

ID: 262626

1-methyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C10H9N3O

Suppliers	Catalog Number
Enamine	EN300-53117

Database	Data ID
PubChem	43141309

M. W.

187.19796

CAS

Similarity

N/A

ID: 262627

1-methyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C10H9N3O

Suppliers	Catalog Number
Enamine	EN300-53118

Database	Data ID
PubChem	43141310

M. W.

187.19796

CAS

Similarity

N/A

ID: 262628

ethyl[(1-methyl-1H-pyrazol-4-yl)methyl]amine hydrochloride

$$$$ Data

M. F.

C7H14ClN3

Suppliers	Catalog Number
Enamine	EN300-53119

Database	Data ID
PubChem	45792112

M. W.

175.65916

CAS

Similarity

N/A

ID: 262629

[2-(1H-pyrazol-1-yl)pyridin-3-yl]methanamine hydrochloride

$$$$ Data

M. F.

C9H11ClN4

Suppliers	Catalog Number
Enamine	EN300-53120

Database	Data ID
PubChem	45792113

M. W.

210.66344

CAS

Similarity

N/A

ID: 262630

[2-(3-bromophenoxy)ethyl]dimethylamine

$$$$ Data

M. F.

C10H14BrNO

Suppliers	Catalog Number
Enamine	EN300-53122

Database	Data ID
PubChem	413371

M. W.

244.12826

CAS

Similarity

N/A

ID: 262631

3-(piperazin-1-yl)propanoic acid hydrochloride

$$$$ Data

M. F.

C7H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-53123

Database	Data ID
PubChem	45792114

M. W.

194.6592

CAS

Similarity

N/A

ID: 262632

3-(1-benzofuran-3-yl)-1-methyl-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C13H10N2O3

Suppliers	Catalog Number
Enamine	EN300-53124

Database	Data ID
PubChem	45792115

M. W.

242.2301

CAS

Similarity

N/A

ID: 262633

1-methyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H9N3O2

Suppliers	Catalog Number
Enamine	EN300-53125

Database	Data ID
PubChem	43141389

M. W.

203.19736

CAS

Similarity

N/A

ID: 262634

1-methyl-3-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C11H9N3O4

Suppliers	Catalog Number
Enamine	EN300-53126

Database	Data ID
PubChem	43324439

M. W.

247.20686

CAS

Similarity

N/A

ID: 262635

1-methyl-3-(4-nitrophenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C11H9N3O3

Suppliers	Catalog Number
Enamine	EN300-53127

Database	Data ID
PubChem	43141316

M. W.

231.20746

CAS

Similarity

N/A

ID: 262636

3-(4-aminophenyl)-1-methyl-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Enamine	EN300-53128

Database	Data ID
PubChem	45792116

M. W.

217.22394

CAS

Similarity

N/A

ID: 262637

2-bromo-5-methanesulfonylbenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H6BrClO4S2

Suppliers	Catalog Number
Enamine	EN300-53130

Database	Data ID
PubChem	43151385

M. W.

333.60714

CAS

Similarity

N/A

ID: 262638

ethanesulfonyl fluoride

$$$$ Data

M. F.

C2H5FO2S

Suppliers	Catalog Number
Enamine	EN300-53132

Database	Data ID
PubChem	522584

M. W.

112.1233032

CAS

Similarity

N/A

ID: 262639

propane-2-sulfonyl fluoride

$$$$ Data

M. F.

C3H7FO2S

Suppliers	Catalog Number
Enamine	EN300-53133

Database	Data ID
PubChem	14906825

M. W.

126.1498832

CAS

Similarity

N/A

ID: 262640

3-(4-hydroxypiperidin-1-yl)propanoic acid

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Enamine	EN300-53134

Database	Data ID
PubChem	29792434

M. W.

173.2096

CAS

Similarity

N/A

ID: 262641

1-benzylpiperidine-4-carboxamide

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-53139

Database	Data ID
PubChem	783156

M. W.

218.29482

CAS

Similarity

N/A

ID: 262642

2,2,2-trifluoroethyl N-(2-cyanophenyl)carbamate

$$$$ Data

M. F.

C10H7F3N2O2

Suppliers	Catalog Number
Enamine	EN300-53143

Database	Data ID
PubChem	2084102

M. W.

244.1699896

CAS

Similarity

N/A

ID: 262643

2,2,2-trifluoroethyl N-(2-chlorophenyl)carbamate

$$$$ Data

M. F.

C9H7ClF3NO2

Suppliers	Catalog Number
Enamine	EN300-53145

Database	Data ID
PubChem	39871466

M. W.

253.6055896

CAS

Similarity

N/A

ID: 262644

5-methyl-1-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-imidazol-2-one

$$$$ Data

M. F.

C8H9N3O2

Suppliers	Catalog Number
Enamine	EN300-53148

Database	Data ID
PubChem	45792118

M. W.

179.17596

CAS

Similarity

N/A

ID: 262645

1-(4-acetylphenyl)-5-methyl-2,3-dihydro-1H-imidazol-2-one

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-53149

Database	Data ID
PubChem	45792119

M. W.

216.23588

CAS

Similarity

N/A

ID: 262646

4-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzonitrile

$$$$ Data

M. F.

C11H9N3O

Suppliers	Catalog Number
Enamine	EN300-53150

Database	Data ID
PubChem	45792120

M. W.

199.20866

CAS

Similarity

N/A

ID: 262647

5-methyl-1-(2-nitrophenyl)-2,3-dihydro-1H-imidazol-2-one

$$$$ Data

M. F.

C10H9N3O3

Suppliers	Catalog Number
Enamine	EN300-53152

Database	Data ID
PubChem	45792121

M. W.

219.19676

CAS

Similarity

N/A

ID: 262648

(2-methylfuran-3-yl)methanamine hydrochloride

$$$$ Data

M. F.

C6H10ClNO

Suppliers	Catalog Number
Enamine	EN300-53165

Database	Data ID
PubChem	45792122

M. W.

147.6027

CAS

Similarity

N/A

ID: 262649

N-hydroxy-3-phenoxypropanamide

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-53166

Database	Data ID
PubChem	21935074

M. W.

181.18854

CAS

Similarity

N/A

ID: 262650

2-(3-fluorophenyl)-N-hydroxyacetamide

$$$$ Data

M. F.

C8H8FNO2

Suppliers	Catalog Number
Enamine	EN300-53167

Database	Data ID
PubChem	24708751

M. W.

169.1530232

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