Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C14H14N2

Suppliers	Catalog Number
Matrix Scientific	051089

Database	Data ID
PubChem	12519118

M. W.

210.27436

CAS

Similarity

N/A

ID: 47602

2-(1,2,3,4-tetrahydroquinolin-1-yl)aniline

$$$$ Data

M. F.

C15H16N2

Suppliers	Catalog Number
Matrix Scientific	051090

Database	Data ID
PubChem	13812929

M. W.

224.30094

CAS

Similarity

N/A

ID: 47603

1-N-benzyl-1-N-ethylbenzene-1,2-diamine

$$$$ Data

M. F.

C15H18N2

Suppliers	Catalog Number
Matrix Scientific	051091

Database	Data ID
PubChem	23459376

M. W.

226.31682

CAS

Similarity

N/A

ID: 47604

1-N-methyl-1-N-(oxan-4-ylmethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Matrix Scientific	051092

Database	Data ID
PubChem	56828285

M. W.

220.3107

CAS

Similarity

N/A

ID: 47605

6-chloro-1-N,1-N-dimethylbenzene-1,2-diamine

$$$$ Data

M. F.

C8H11ClN2

Suppliers	Catalog Number
Matrix Scientific	051093

Database	Data ID
PubChem	16791181

M. W.

170.63934

CAS

Similarity

N/A

ID: 47606

6-chloro-1-N,1-N-diethylbenzene-1,2-diamine

$$$$ Data

M. F.

C10H15ClN2

Suppliers	Catalog Number
ChemBridge	4026973
Matrix Scientific	051094

Database	Data ID
PubChem	16774840

M. W.

198.6925

CAS

926232-19-1

Similarity

N/A

ID: 47607

2-[(2-amino-6-chlorophenyl)(methyl)amino]ethan-1-ol

$$$$ Data

M. F.

C9H13ClN2O

Suppliers	Catalog Number
Matrix Scientific	051095

Database	Data ID
PubChem	43345910

M. W.

200.66532

CAS

Similarity

N/A

ID: 47608

1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol

$$$$ Data

M. F.

C10H13ClN2O

Suppliers	Catalog Number
Matrix Scientific	051096

Database	Data ID
PubChem	53407942

M. W.

212.67602

CAS

Similarity

N/A

ID: 47609

1-N-butyl-6-chloro-1-N-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C11H17ClN2

Suppliers	Catalog Number
Matrix Scientific	051097

Database	Data ID
PubChem	18071069

M. W.

212.71908

CAS

Similarity

N/A

ID: 47610

2-[(2-amino-6-chlorophenyl)(ethyl)amino]ethan-1-ol

$$$$ Data

M. F.

C10H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	051098

Database	Data ID
PubChem	56828934

M. W.

214.6919

CAS

Similarity

N/A

ID: 47611

6-chloro-1-N,1-N-bis(prop-2-en-1-yl)benzene-1,2-diamine

$$$$ Data

M. F.

C12H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051099

Database	Data ID
PubChem	56831512

M. W.

222.7139

CAS

Similarity

N/A

ID: 47612

3-chloro-2-(2-methylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
Matrix Scientific	051100

Database	Data ID
PubChem	16770897

M. W.

224.72978

CAS

Similarity

N/A

ID: 47613

3-chloro-2-(3-methylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
ChemBridge	9066777
Matrix Scientific	051101

Database	Data ID
PubChem	16775422

M. W.

224.72978

CAS

915921-30-1

Similarity

N/A

ID: 47614

2-(4-benzylpiperazin-1-yl)-3-chloroaniline

$$$$ Data

M. F.

C17H20ClN3

Suppliers	Catalog Number
Matrix Scientific	051102

Database	Data ID
PubChem	17605500

M. W.

301.8138

CAS

Similarity

N/A

ID: 47615

2-(azepan-1-yl)-3-chloroaniline

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
Matrix Scientific	051103

Database	Data ID
PubChem	16771893

M. W.

224.72978

CAS

Similarity

N/A

ID: 47616

4-(2-amino-6-chlorophenyl)piperazin-2-one

$$$$ Data

M. F.

C10H12ClN3O

Suppliers	Catalog Number
Matrix Scientific	051104

Database	Data ID
PubChem	16771493

M. W.

225.67478

CAS

Similarity

N/A

ID: 47617

1-(2-amino-6-chlorophenyl)piperidin-4-ol

$$$$ Data

M. F.

C11H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	051105

Database	Data ID
PubChem	16792374

M. W.

226.7026

CAS

Similarity

N/A

ID: 47618

6-chloro-1-N,1-N-dipropylbenzene-1,2-diamine

$$$$ Data

M. F.

C12H19ClN2

Suppliers	Catalog Number
Matrix Scientific	051106

Database	Data ID
PubChem	16777706

M. W.

226.74566

CAS

Similarity

N/A

ID: 47619

6-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C13H19ClN2

Suppliers	Catalog Number
Matrix Scientific	051107

Database	Data ID
PubChem	28605512

M. W.

238.75636

CAS

Similarity

N/A

ID: 47620

3-chloro-2-(2-ethylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C13H19ClN2

Suppliers	Catalog Number
Matrix Scientific	051108

Database	Data ID
PubChem	17605497

M. W.

238.75636

CAS

Similarity

N/A

ID: 47621

1-N-benzyl-6-chloro-1-N-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C14H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051109

Database	Data ID
PubChem	18070927

M. W.

246.7353

CAS

Similarity

N/A

ID: 47622

6-chloro-1-N-cyclohexyl-1-N-ethylbenzene-1,2-diamine

$$$$ Data

M. F.

C14H21ClN2

Suppliers	Catalog Number
Matrix Scientific	051110

Database	Data ID
PubChem	30056540

M. W.

252.78294

CAS

Similarity

N/A

ID: 47623

2-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]ethan-1-ol

$$$$ Data

M. F.

C12H18ClN3O

Suppliers	Catalog Number
Matrix Scientific	051111

Database	Data ID
PubChem	43501349

M. W.

255.74382

CAS

Similarity

N/A

ID: 47624

3-chloro-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)aniline

$$$$ Data

M. F.

C15H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051112

Database	Data ID
PubChem	19627861

M. W.

258.746

CAS

Similarity

N/A

ID: 47625

3-chloro-2-(2,3-dihydro-1H-indol-1-yl)aniline

$$$$ Data

M. F.

C14H13ClN2

Suppliers	Catalog Number
Matrix Scientific	051113

Database	Data ID
PubChem	19627859

M. W.

244.71942

CAS

Similarity

N/A

ID: 47626

3-chloro-2-(1,2,3,4-tetrahydroquinolin-1-yl)aniline

$$$$ Data

M. F.

C15H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051114

Database	Data ID
PubChem	19627860

M. W.

258.746

CAS

Similarity

N/A

ID: 47627

1-N-benzyl-6-chloro-1-N-ethylbenzene-1,2-diamine

$$$$ Data

M. F.

C15H17ClN2

Suppliers	Catalog Number
Matrix Scientific	051115

Database	Data ID
PubChem	28983511

M. W.

260.76188

CAS

Similarity

N/A

ID: 47628

6-chloro-1-N-methyl-1-N-(oxan-4-ylmethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C13H19ClN2O

Suppliers	Catalog Number
Matrix Scientific	051116

Database	Data ID
PubChem	55228158

M. W.

254.75576

CAS

Similarity

N/A

ID: 47629

4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine

$$$$ Data

M. F.

C8H11ClN2

Suppliers	Catalog Number
ChemBridge	4030523 4087916
Matrix Scientific	051117
InterBioScreen	BB_SC-2758

Database	Data ID
PubChem	3871128

M. W.

170.63934

CAS

Similarity

N/A

ID: 47630

5-chloro-2-(pyrrolidin-1-yl)aniline

$$$$ Data

M. F.

C10H13ClN2

Suppliers	Catalog Number
ChemBridge	4012425
Matrix Scientific	051118
Enamine	EN300-35516

Database	Data ID
PubChem	285320

M. W.

196.67662

CAS

59504-29-9

Similarity

N/A

ID: 47631

4-chloro-1-N,1-N-diethylbenzene-1,2-diamine

$$$$ Data

M. F.

C10H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051119

Database	Data ID
PubChem	7064092

M. W.

198.6925

CAS

Similarity

N/A

ID: 47632

2-[(2-amino-4-chlorophenyl)(methyl)amino]ethan-1-ol

$$$$ Data

M. F.

C9H13ClN2O

Suppliers	Catalog Number
Matrix Scientific	051120

Database	Data ID
PubChem	43345913

M. W.

200.66532

CAS

Similarity

N/A

ID: 47633

1-(2-amino-4-chlorophenyl)pyrrolidin-3-ol

$$$$ Data

M. F.

C10H13ClN2O

Suppliers	Catalog Number
Matrix Scientific	051121

Database	Data ID
PubChem	53407938

M. W.

212.67602

CAS

Similarity

N/A

ID: 47634

1-N-butyl-4-chloro-1-N-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C11H17ClN2

Suppliers	Catalog Number
Matrix Scientific	051122

Database	Data ID
PubChem	20114741

M. W.

212.71908

CAS

Similarity

N/A

ID: 47635

2-[(2-amino-4-chlorophenyl)(ethyl)amino]ethan-1-ol

$$$$ Data

M. F.

C10H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	051123

Database	Data ID
PubChem	56828933

M. W.

214.6919

CAS

Similarity

N/A

ID: 47636

4-chloro-1-N,1-N-bis(prop-2-en-1-yl)benzene-1,2-diamine

$$$$ Data

M. F.

C12H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051124

Database	Data ID
PubChem	56831513

M. W.

222.7139

CAS

Similarity

N/A

ID: 47637

5-chloro-2-(2-methylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
ChemBridge	9064203
Matrix Scientific	051125

Database	Data ID
PubChem	16777085

M. W.

224.72978

CAS

893751-38-7

Similarity

N/A

ID: 47638

5-chloro-2-(3-methylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
ChemBridge	9069148
Matrix Scientific	051126

Database	Data ID
PubChem	16777528

M. W.

224.72978

CAS

893751-41-2

Similarity

N/A

ID: 47639

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

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
Matrix Scientific	051127

Database	Data ID
PubChem	16770595

M. W.

224.72978

CAS

Similarity

N/A

ID: 47640

2-(4-benzylpiperazin-1-yl)-5-chloroaniline

$$$$ Data

M. F.

C17H20ClN3

Suppliers	Catalog Number
Matrix Scientific	051128

Database	Data ID
PubChem	17605555

M. W.

301.8138

CAS

Similarity

N/A

ID: 47641

2-(azepan-1-yl)-5-chloroaniline

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
Matrix Scientific	051129
InterBioScreen	BB_SC-1908

Database	Data ID
PubChem	2098039

M. W.

224.72978

CAS

Similarity

N/A

ID: 47642

4-(2-amino-4-chlorophenyl)piperazin-2-one

$$$$ Data

M. F.

C10H12ClN3O

Suppliers	Catalog Number
Matrix Scientific	051130

Database	Data ID
PubChem	16776727

M. W.

225.67478

CAS

Similarity

N/A

ID: 47643

1-(2-amino-4-chlorophenyl)piperidin-4-ol

$$$$ Data

M. F.

C11H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	051131

Database	Data ID
PubChem	16784877

M. W.

226.7026

CAS

Similarity

N/A

ID: 47644

4-chloro-1-N,1-N-dipropylbenzene-1,2-diamine

$$$$ Data

M. F.

C12H19ClN2

Suppliers	Catalog Number
Matrix Scientific	051132

Database	Data ID
PubChem	16774863

M. W.

226.74566

CAS

Similarity

N/A

ID: 47645

4-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C13H19ClN2

Suppliers	Catalog Number
Matrix Scientific	051133

Database	Data ID
PubChem	28605511

M. W.

238.75636

CAS

Similarity

N/A

ID: 47646

5-chloro-2-(2-ethylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C13H19ClN2

Suppliers	Catalog Number
Matrix Scientific	051134

Database	Data ID
PubChem	17605553

M. W.

238.75636

CAS

Similarity

N/A

ID: 47647

1-N-benzyl-4-chloro-1-N-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C14H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051135

Database	Data ID
PubChem	20114100

M. W.

246.7353

CAS

Similarity

N/A

ID: 47648

4-chloro-1-N-cyclohexyl-1-N-ethylbenzene-1,2-diamine

$$$$ Data

M. F.

C14H21ClN2

Suppliers	Catalog Number
Matrix Scientific	051136

Database	Data ID
PubChem	29050697

M. W.

252.78294

CAS

Similarity

N/A

ID: 47649

2-[4-(2-amino-4-chlorophenyl)piperazin-1-yl]ethan-1-ol

$$$$ Data

M. F.

C12H18ClN3O

Suppliers	Catalog Number
Matrix Scientific	051137
Enamine	EN300-74130

Database	Data ID
PubChem	43416533

M. W.

255.74382

CAS

Similarity

N/A

ID: 47650

5-chloro-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)aniline

$$$$ Data

M. F.

C15H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051138

Database	Data ID
PubChem	19624509

M. W.

258.746

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