Chembase list of 866358 unique molecular structures

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

$$$$ Data

M. F.

C13H19ClN2

Suppliers	Catalog Number
Matrix Scientific	051239

Database	Data ID
PubChem	3021034

M. W.

238.75636

CAS

Similarity

N/A

ID: 47752

3-chloro-4-(2-ethylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C13H19ClN2

Suppliers	Catalog Number
Matrix Scientific	051240

Database	Data ID
PubChem	17605528

M. W.

238.75636

CAS

Similarity

N/A

ID: 47753

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

$$$$ Data

M. F.

C14H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051241

Database	Data ID
PubChem	13176094

M. W.

246.7353

CAS

Similarity

N/A

ID: 47754

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

$$$$ Data

M. F.

C14H21ClN2

Suppliers	Catalog Number
Matrix Scientific	051242

Database	Data ID
PubChem	18543219

M. W.

252.78294

CAS

Similarity

N/A

ID: 47755

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

$$$$ Data

M. F.

C15H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051243

Database	Data ID
PubChem	19626956

M. W.

258.746

CAS

Similarity

N/A

ID: 47756

3-chloro-4-(2,3-dihydro-1H-indol-1-yl)aniline

$$$$ Data

M. F.

C14H13ClN2

Suppliers	Catalog Number
Matrix Scientific	051244

Database	Data ID
PubChem	19626954

M. W.

244.71942

CAS

Similarity

N/A

ID: 47757

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

$$$$ Data

M. F.

C15H15ClN2

Suppliers	Catalog Number
Matrix Scientific	051245

Database	Data ID
PubChem	19626955

M. W.

258.746

CAS

Similarity

N/A

ID: 47758

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

$$$$ Data

M. F.

C15H17ClN2

Suppliers	Catalog Number
Matrix Scientific	051246

Database	Data ID
PubChem	28983514

M. W.

260.76188

CAS

Similarity

N/A

ID: 47759

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

$$$$ Data

M. F.

C13H19ClN2O

Suppliers	Catalog Number
Matrix Scientific	051247

Database	Data ID
PubChem	56831521

M. W.

254.75576

CAS

Similarity

N/A

ID: 47760

1-N,1-N-dimethylbenzene-1,4-diamine

$$$$ Data More

M. F.

C8H12N2

Suppliers	Catalog Number
Sigma Aldrich	193992 07750
Alfa Aesar	A15962
Matrix Scientific	051248

Database	Data ID
Wikipedia	Dimethyl-4-phenylenediamine
PubChem	7472

M. W.

136.19428

CAS

99-98-9

Similarity

N/A

ID: 47761

1-N,1-N-diethylbenzene-1,4-diamine

$$$$ Data More

M. F.

C10H16N2

Suppliers	Catalog Number
Sigma Aldrich	261513 07660
MP Biomedicals	05215476
Matrix Scientific	051249

Database	Data ID
PubChem	7120

M. W.

164.24744

CAS

93-05-0

Similarity

N/A

ID: 47762

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

$$$$ Data

M. F.

C9H14N2O

Suppliers	Catalog Number
Matrix Scientific	051250

Database	Data ID
PubChem	13628316

M. W.

166.22026

CAS

Similarity

N/A

ID: 47763

4-(piperidin-1-yl)aniline

$$$$ Data More

M. F.

C11H16N2

Suppliers	Catalog Number
Sigma Aldrich	556629
Alfa Aesar	L06767
Matrix Scientific	051251

Database	Data ID
PubChem	413501

M. W.

176.25814

CAS

2359-60-6

Similarity

N/A

ID: 47764

1-(4-aminophenyl)pyrrolidin-3-ol

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Matrix Scientific	051252

Database	Data ID
PubChem	21087627

M. W.

178.23096

CAS

503457-32-7

Similarity

N/A

ID: 47765

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

$$$$ Data

M. F.

C11H18N2

Suppliers	Catalog Number
Matrix Scientific	051253
Enamine	EN300-72244

Database	Data ID
PubChem	20378794

M. W.

178.27402

CAS

Similarity

N/A

ID: 47766

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

$$$$ Data

M. F.

C10H16N2O

Suppliers	Catalog Number
Matrix Scientific	051254
InterBioScreen	BB_SC-1532

Database	Data ID
PubChem	66713

M. W.

180.24684

CAS

Similarity

N/A

ID: 47767

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

$$$$ Data

M. F.

C12H16N2

Suppliers	Catalog Number
Matrix Scientific	051255

Database	Data ID
PubChem	22016066

M. W.

188.26884

CAS

Similarity

N/A

ID: 47768

4-(azepan-1-yl)aniline

$$$$ Data More

M. F.

C12H18N2

Suppliers	Catalog Number
ChemBridge	4102638
Matrix Scientific	051256
Key Organics	9Y-0830

Database	Data ID
PubChem	93643

M. W.

190.28472

CAS

57356-18-0

Similarity

N/A

ID: 47769

4-(4-aminophenyl)piperazin-2-one

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Matrix Scientific	051257
Life Chemicals	F2158-0211
Enamine	EN300-37211

Database	Data ID
PubChem	16775276

M. W.

191.22972

CAS

223786-04-7

Similarity

N/A

ID: 47770

1-(4-aminophenyl)piperidin-4-ol

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Matrix Scientific	051258
Enamine	EN300-37213
A&J Pharmtech	AJA-O4261

Database	Data ID
PubChem	16792107

M. W.

192.25754

CAS

142752-12-3

Similarity

N/A

ID: 47771

1-N,1-N-dipropylbenzene-1,4-diamine

$$$$ Data

M. F.

C12H20N2

Suppliers	Catalog Number
Matrix Scientific	051259

Database	Data ID
PubChem	10219779

M. W.

192.3006

CAS

105293-89-8

Similarity

N/A

ID: 47772

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

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	051260

Database	Data ID
PubChem	16794502

M. W.

204.3113

CAS

93087-80-0

Similarity

N/A

ID: 47773

4-(2-ethylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	051261

Database	Data ID
PubChem	17605477

M. W.

204.3113

CAS

Similarity

N/A

ID: 47774

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

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
Matrix Scientific	051262
Enamine	EN300-50471

Database	Data ID
PubChem	20119898

M. W.

212.29024

CAS

Similarity

N/A

ID: 47775

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

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Matrix Scientific	051263

Database	Data ID
PubChem	16789095

M. W.

218.33788

CAS

Similarity

N/A

ID: 47776

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

$$$$ Data

M. F.

C12H19N3O

Suppliers	Catalog Number
Matrix Scientific	051264
Apollo Scientific	OR13814
Bide Pharmatech	BD161104

Database	Data ID
PubChem	767100

M. W.

221.29876

CAS

5521-39-1

Similarity

N/A

ID: 47777

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

$$$$ Data

M. F.

C15H16N2

Suppliers	Catalog Number
Matrix Scientific	051265

Database	Data ID
PubChem	16787112

M. W.

224.30094

CAS

Similarity

N/A

ID: 47778

4-(2,3-dihydro-1H-indol-1-yl)aniline

$$$$ Data

M. F.

C14H14N2

Suppliers	Catalog Number
Matrix Scientific	051266
Enamine	EN300-41795

Database	Data ID
PubChem	16793305

M. W.

210.27436

CAS

Similarity

N/A

ID: 47779

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

$$$$ Data

M. F.

C15H16N2

Suppliers	Catalog Number
Matrix Scientific	051267

Database	Data ID
PubChem	16786637

M. W.

224.30094

CAS

Similarity

N/A

ID: 47780

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

$$$$ Data

M. F.

C15H18N2

Suppliers	Catalog Number
Matrix Scientific	051268

Database	Data ID
PubChem	7147685

M. W.

226.31682

CAS

Similarity

N/A

ID: 47781

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

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Matrix Scientific	051269

Database	Data ID
PubChem	56828284

M. W.

220.3107

CAS

Similarity

N/A

ID: 47782

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

$$$$ Data

M. F.

C9H11F3N2

Suppliers	Catalog Number
ChemBridge	4027835
Matrix Scientific	051270

Database	Data ID
PubChem	17605588

M. W.

204.1922496

CAS

54672-12-7

Similarity

N/A

ID: 47783

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

$$$$ Data

M. F.

C11H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051271

Database	Data ID
PubChem	17605589

M. W.

232.2454096

CAS

Similarity

N/A

ID: 47784

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

$$$$ Data

M. F.

C10H13F3N2O

Suppliers	Catalog Number
Matrix Scientific	051272

Database	Data ID
PubChem	53408926

M. W.

234.2182296

CAS

Similarity

N/A

ID: 47785

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

$$$$ Data

M. F.

C11H13F3N2O

Suppliers	Catalog Number
Matrix Scientific	051273

Database	Data ID
PubChem	53408258

M. W.

246.2289296

CAS

Similarity

N/A

ID: 47786

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

$$$$ Data

M. F.

C12H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051274

Database	Data ID
PubChem	54935894

M. W.

246.2719896

CAS

Similarity

N/A

ID: 47787

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

$$$$ Data

M. F.

C11H15F3N2O

Suppliers	Catalog Number
Matrix Scientific	051275

Database	Data ID
PubChem	53408924

M. W.

248.2448096

CAS

Similarity

N/A

ID: 47788

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

$$$$ Data

M. F.

C13H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051276

Database	Data ID
PubChem	56831522

M. W.

256.2668096

CAS

Similarity

N/A

ID: 47789

4-(2-methylpiperidin-1-yl)-3-(trifluoromethyl)aniline

$$$$ Data

M. F.

C13H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051277

Database	Data ID
PubChem	17605581

M. W.

258.2826896

CAS

Similarity

N/A

ID: 47790

4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)aniline

$$$$ Data

M. F.

C13H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051278

Database	Data ID
PubChem	17605580

M. W.

258.2826896

CAS

Similarity

N/A

ID: 47791

4-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)aniline

$$$$ Data

M. F.

C13H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051279

Database	Data ID
PubChem	7020372

M. W.

258.2826896

CAS

Similarity

N/A

ID: 47792

4-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)aniline

$$$$ Data

M. F.

C18H20F3N3

Suppliers	Catalog Number
Matrix Scientific	051280

Database	Data ID
PubChem	17605586

M. W.

335.3667096

CAS

Similarity

N/A

ID: 47793

4-(azepan-1-yl)-3-(trifluoromethyl)aniline

$$$$ Data

M. F.

C13H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051281

Database	Data ID
PubChem	17605579

M. W.

258.2826896

CAS

Similarity

N/A

ID: 47794

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

$$$$ Data

M. F.

C11H12F3N3O

Suppliers	Catalog Number
Matrix Scientific	051282

Database	Data ID
PubChem	53410014

M. W.

259.2276896

CAS

Similarity

N/A

ID: 47795

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

$$$$ Data

M. F.

C12H15F3N2O

Suppliers	Catalog Number
Matrix Scientific	051283

Database	Data ID
PubChem	53408259

M. W.

260.2555096

CAS

Similarity

N/A

ID: 47796

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

$$$$ Data

M. F.

C13H19F3N2

Suppliers	Catalog Number
Matrix Scientific	051284

Database	Data ID
PubChem	54935849

M. W.

260.2985696

CAS

Similarity

N/A

ID: 47797

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

$$$$ Data

M. F.

C14H19F3N2

Suppliers	Catalog Number
Matrix Scientific	051285

Database	Data ID
PubChem	54935893

M. W.

272.3092696

CAS

Similarity

N/A

ID: 47798

4-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline

$$$$ Data

M. F.

C14H19F3N2

Suppliers	Catalog Number
Matrix Scientific	051286

Database	Data ID
PubChem	17605583

M. W.

272.3092696

CAS

Similarity

N/A

ID: 47799

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

$$$$ Data

M. F.

C15H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051287

Database	Data ID
PubChem	56828925

M. W.

280.2882096

CAS

Similarity

N/A

ID: 47800

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

$$$$ Data

M. F.

C15H21F3N2

Suppliers	Catalog Number
Matrix Scientific	051288

Database	Data ID
PubChem	56828354

M. W.

286.3358496

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