Chembase list of 866358 unique molecular structures

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

$$$$ Data

M. F.

C14H13ClN2

Suppliers	Catalog Number
Matrix Scientific	051139

Database	Data ID
PubChem	19624507

M. W.

244.71942

CAS

Similarity

N/A

ID: 47652

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

$$$$ Data

M. F.

C15H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051140

Database	Data ID
PubChem	19624508

M. W.

258.746

CAS

Similarity

N/A

ID: 47653

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

$$$$ Data

M. F.

C15H17ClN2

Suppliers	Catalog Number
Matrix Scientific	051141

Database	Data ID
PubChem	28983515

M. W.

260.76188

CAS

Similarity

N/A

ID: 47654

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

$$$$ Data

M. F.

C13H19ClN2O

Suppliers	Catalog Number
Matrix Scientific	051142

Database	Data ID
PubChem	56831514

M. W.

254.75576

CAS

Similarity

N/A

ID: 47655

1-N,1-N-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C9H11F3N2

Suppliers	Catalog Number
ChemBridge	4027300
Matrix Scientific	051143
Enamine	EN300-11164

Database	Data ID
PubChem	2529373

M. W.

204.1922496

CAS

183251-95-8

Similarity

N/A

ID: 47656

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

$$$$ Data

M. F.

C11H13F3N2

Suppliers	Catalog Number
Matrix Scientific	051144
Apollo Scientific	PC1100F
InterBioScreen	BB_SC-2476

Database	Data ID
PubChem	518751

M. W.

230.2295296

CAS

133184-80-2

Similarity

N/A

ID: 47657

1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C11H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051145
Enamine	EN300-12997

Database	Data ID
PubChem	4962171

M. W.

232.2454096

CAS

Similarity

N/A

ID: 47658

2-{[2-amino-4-(trifluoromethyl)phenyl](methyl)amino}ethan-1-ol

$$$$ Data

M. F.

C10H13F3N2O

Suppliers	Catalog Number
Matrix Scientific	051146

Database	Data ID
PubChem	43345911

M. W.

234.2182296

CAS

Similarity

N/A

ID: 47659

1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

$$$$ Data

M. F.

C11H13F3N2O

Suppliers	Catalog Number
Matrix Scientific	051147

Database	Data ID
PubChem	53408246

M. W.

246.2289296

CAS

Similarity

N/A

ID: 47660

1-N-butyl-1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C12H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051148

Database	Data ID
PubChem	28366230

M. W.

246.2719896

CAS

Similarity

N/A

ID: 47661

2-{[2-amino-4-(trifluoromethyl)phenyl](ethyl)amino}ethan-1-ol

$$$$ Data

M. F.

C11H15F3N2O

Suppliers	Catalog Number
Matrix Scientific	051149

Database	Data ID
PubChem	53408899

M. W.

248.2448096

CAS

Similarity

N/A

ID: 47662

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

$$$$ Data

M. F.

C13H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051150

Database	Data ID
PubChem	56831515

M. W.

256.2668096

CAS

Similarity

N/A

ID: 47663

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

$$$$ Data

M. F.

C13H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051151

Database	Data ID
PubChem	16775528

M. W.

258.2826896

CAS

Similarity

N/A

ID: 47664

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

$$$$ Data

M. F.

C13H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051152

Database	Data ID
PubChem	16771370

M. W.

258.2826896

CAS

Similarity

N/A

ID: 47665

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

$$$$ Data

M. F.

C13H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051153

Database	Data ID
PubChem	729328

M. W.

258.2826896

CAS

Similarity

N/A

ID: 47666

2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)aniline

$$$$ Data

M. F.

C18H20F3N3

Suppliers	Catalog Number
Matrix Scientific	051154

Database	Data ID
PubChem	9909363

M. W.

335.3667096

CAS

Similarity

N/A

ID: 47667

2-(azepan-1-yl)-5-(trifluoromethyl)aniline

$$$$ Data

M. F.

C13H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051155
Enamine	EN300-24226

Database	Data ID
PubChem	9156594

M. W.

258.2826896

CAS

Similarity

N/A

ID: 47668

4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-2-one

$$$$ Data

M. F.

C11H12F3N3O

Suppliers	Catalog Number
Matrix Scientific	051156
Enamine	EN300-108438

Database	Data ID
PubChem	16774455

M. W.

259.2276896

CAS

Similarity

N/A

ID: 47669

1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-ol

$$$$ Data

M. F.

C12H15F3N2O

Suppliers	Catalog Number
Matrix Scientific	051157

Database	Data ID
PubChem	16791455

M. W.

260.2555096

CAS

Similarity

N/A

ID: 47670

1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C13H19F3N2

Suppliers	Catalog Number
Matrix Scientific	051158

Database	Data ID
PubChem	16776402

M. W.

260.2985696

CAS

Similarity

N/A

ID: 47671

1-N-cyclohexyl-1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C14H19F3N2

Suppliers	Catalog Number
Matrix Scientific	051159

Database	Data ID
PubChem	29030906

M. W.

272.3092696

CAS

Similarity

N/A

ID: 47672

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

$$$$ Data

M. F.

C14H19F3N2

Suppliers	Catalog Number
Matrix Scientific	051160

Database	Data ID
PubChem	17605619

M. W.

272.3092696

CAS

Similarity

N/A

ID: 47673

1-N-benzyl-1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C15H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051161

Database	Data ID
PubChem	28366228

M. W.

280.2882096

CAS

Similarity

N/A

ID: 47674

1-N-cyclohexyl-1-N-ethyl-4-(trifluoromethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C15H21F3N2

Suppliers	Catalog Number
Matrix Scientific	051162

Database	Data ID
PubChem	29294785

M. W.

286.3358496

CAS

Similarity

N/A

ID: 47675

2-{4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-ol

$$$$ Data

M. F.

C13H18F3N3O

Suppliers	Catalog Number
Matrix Scientific	051163

Database	Data ID
PubChem	43501350

M. W.

289.2967296

CAS

Similarity

N/A

ID: 47676

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

$$$$ Data

M. F.

C16H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051164

Database	Data ID
PubChem	16769646

M. W.

292.2989096

CAS

175134-94-8

Similarity

N/A

ID: 47677

2-(2,3-dihydro-1H-indol-1-yl)-5-(trifluoromethyl)aniline

$$$$ Data

M. F.

C15H13F3N2

Suppliers	Catalog Number
Matrix Scientific	051165

Database	Data ID
PubChem	12519122

M. W.

278.2723296

CAS

Similarity

N/A

ID: 47678

2-(1,2,3,4-tetrahydroquinolin-1-yl)-5-(trifluoromethyl)aniline

$$$$ Data

M. F.

C16H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051166

Database	Data ID
PubChem	19627030

M. W.

292.2989096

CAS

Similarity

N/A

ID: 47679

1-N-benzyl-1-N-ethyl-4-(trifluoromethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C16H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051167

Database	Data ID
PubChem	28983512

M. W.

294.3147896

CAS

Similarity

N/A

ID: 47680

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

$$$$ Data

M. F.

C14H19F3N2O

Suppliers	Catalog Number
Matrix Scientific	051168

Database	Data ID
PubChem	56831516

M. W.

288.3086696

CAS

Similarity

N/A

ID: 47681

1-N,1-N,4-trimethylbenzene-1,2-diamine

$$$$ Data

M. F.

C9H14N2

Suppliers	Catalog Number
ChemBridge	4027551
Matrix Scientific	051169

Database	Data ID
PubChem	17605661

M. W.

150.22086

CAS

183251-82-3

Similarity

N/A

ID: 47682

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

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Matrix Scientific	051170

Database	Data ID
PubChem	17604786

M. W.

176.25814

CAS

Similarity

N/A

ID: 47683

1-N,1-N-diethyl-4-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C11H18N2

Suppliers	Catalog Number
ChemBridge	4027004
Matrix Scientific	051171

Database	Data ID
PubChem	17605662

M. W.

178.27402

CAS

946761-64-4

Similarity

N/A

ID: 47684

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

$$$$ Data

M. F.

C10H16N2O

Suppliers	Catalog Number
Matrix Scientific	051172

Database	Data ID
PubChem	43168908

M. W.

180.24684

CAS

Similarity

N/A

ID: 47685

5-methyl-2-(piperidin-1-yl)aniline

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
ChemBridge	9015066
Matrix Scientific	051173

Database	Data ID
PubChem	17605649

M. W.

190.28472

CAS

91907-40-3

Similarity

N/A

ID: 47686

5-methyl-2-(morpholin-4-yl)aniline

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Matrix Scientific	051174

Database	Data ID
PubChem	18952141

M. W.

192.25754

CAS

Similarity

N/A

ID: 47687

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

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Matrix Scientific	051175

Database	Data ID
PubChem	53407940

M. W.

192.25754

CAS

Similarity

N/A

ID: 47688

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

$$$$ Data

M. F.

C12H20N2

Suppliers	Catalog Number
Matrix Scientific	051176

Database	Data ID
PubChem	43349391

M. W.

192.3006

CAS

Similarity

N/A

ID: 47689

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

$$$$ Data

M. F.

C11H18N2O

Suppliers	Catalog Number
Matrix Scientific	051177

Database	Data ID
PubChem	14298435

M. W.

194.27342

CAS

Similarity

N/A

ID: 47690

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

$$$$ Data

M. F.

C13H18N2

Suppliers	Catalog Number
Matrix Scientific	051178

Database	Data ID
PubChem	56831517

M. W.

202.29542

CAS

Similarity

N/A

ID: 47691

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

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	051179

Database	Data ID
PubChem	17605653

M. W.

204.3113

CAS

Similarity

N/A

ID: 47692

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

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	051180

Database	Data ID
PubChem	17605652

M. W.

204.3113

CAS

Similarity

N/A

ID: 47693

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

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	051181

Database	Data ID
PubChem	17605651

M. W.

204.3113

CAS

Similarity

N/A

ID: 47694

5-methyl-2-(4-methylpiperazin-1-yl)aniline

$$$$ Data

M. F.

C12H19N3

Suppliers	Catalog Number
ChemBridge	4027435
Matrix Scientific	051182

Database	Data ID
PubChem	17605654

M. W.

205.29936

CAS

946731-22-2

Similarity

N/A

ID: 47695

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

$$$$ Data

M. F.

C18H23N3

Suppliers	Catalog Number
Matrix Scientific	051183

Database	Data ID
PubChem	17605659

M. W.

281.39532

CAS

Similarity

N/A

ID: 47696

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

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
ChemBridge	4027078
Matrix Scientific	051184

Database	Data ID
PubChem	17605650

M. W.

204.3113

CAS

Similarity

N/A

ID: 47697

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

$$$$ Data

M. F.

C11H15N3O

Suppliers	Catalog Number
Matrix Scientific	051185

Database	Data ID
PubChem	43349378

M. W.

205.2563

CAS

Similarity

N/A

ID: 47698

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

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Matrix Scientific	051186

Database	Data ID
PubChem	43349381

M. W.

206.28412

CAS

Similarity

N/A

ID: 47699

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

$$$$ Data

M. F.

C13H22N2

Suppliers	Catalog Number
Matrix Scientific	051187

Database	Data ID
PubChem	43349379

M. W.

206.32718

CAS

Similarity

N/A

ID: 47700

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

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Matrix Scientific	051188

Database	Data ID
PubChem	43168857

M. W.

218.33788

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