Chembase list of 866358 unique molecular structures

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

$$$$ Data

M. F.

C13H18F3N3O

Suppliers	Catalog Number
Matrix Scientific	051289

Database	Data ID
PubChem	53408979

M. W.

289.2967296

CAS

Similarity

N/A

ID: 47802

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

$$$$ Data

M. F.

C16H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051290
Bide Pharmatech	BD159434

Database	Data ID
PubChem	45036828

M. W.

292.2989096

CAS

914348-87-1

Similarity

N/A

ID: 47803

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

$$$$ Data

M. F.

C15H13F3N2

Suppliers	Catalog Number
Matrix Scientific	051291

Database	Data ID
PubChem	53409860

M. W.

278.2723296

CAS

Similarity

N/A

ID: 47804

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

$$$$ Data

M. F.

C16H15F3N2

Suppliers	Catalog Number
Matrix Scientific	051292

Database	Data ID
PubChem	53410009

M. W.

292.2989096

CAS

Similarity

N/A

ID: 47805

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

$$$$ Data

M. F.

C16H17F3N2

Suppliers	Catalog Number
Matrix Scientific	051293

Database	Data ID
PubChem	56828926

M. W.

294.3147896

CAS

Similarity

N/A

ID: 47806

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

$$$$ Data

M. F.

C14H19F3N2O

Suppliers	Catalog Number
Matrix Scientific	051294

Database	Data ID
PubChem	56831523

M. W.

288.3086696

CAS

Similarity

N/A

ID: 47807

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

$$$$ Data

M. F.

C9H14N2

Suppliers	Catalog Number
ChemBridge	4036059
Matrix Scientific	051295

Database	Data ID
PubChem	436365

M. W.

150.22086

CAS

27746-11-8

Similarity

N/A

ID: 47808

3-methyl-4-(pyrrolidin-1-yl)aniline

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Matrix Scientific	051296

Database	Data ID
PubChem	85277

M. W.

176.25814

CAS

16089-43-3

Similarity

N/A

ID: 47809

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

$$$$ Data

M. F.

C11H18N2

Suppliers	Catalog Number
Matrix Scientific	051297

Database	Data ID
PubChem	10313365

M. W.

178.27402

CAS

Similarity

N/A

ID: 47810

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

$$$$ Data

M. F.

C10H16N2O

Suppliers	Catalog Number
Matrix Scientific	051298

Database	Data ID
PubChem	43345905

M. W.

180.24684

CAS

Similarity

N/A

ID: 47811

3-methyl-4-(piperidin-1-yl)aniline

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Matrix Scientific	051299

Database	Data ID
PubChem	43090715

M. W.

190.28472

CAS

Similarity

N/A

ID: 47812

3-methyl-4-(morpholin-4-yl)aniline

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Matrix Scientific	051300
Bide Pharmatech	BD204813

Database	Data ID
PubChem	10607787

M. W.

192.25754

CAS

112900-82-0

Similarity

N/A

ID: 47813

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

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Matrix Scientific	051301

Database	Data ID
PubChem	21087621

M. W.

192.25754

CAS

Similarity

N/A

ID: 47814

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

$$$$ Data

M. F.

C12H20N2

Suppliers	Catalog Number
Matrix Scientific	051302

Database	Data ID
PubChem	43165466

M. W.

192.3006

CAS

Similarity

N/A

ID: 47815

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

$$$$ Data

M. F.

C11H18N2O

Suppliers	Catalog Number
Matrix Scientific	051303

Database	Data ID
PubChem	423795

M. W.

194.27342

CAS

Similarity

N/A

ID: 47816

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

$$$$ Data

M. F.

C13H18N2

Suppliers	Catalog Number
Matrix Scientific	051304

Database	Data ID
PubChem	56831524

M. W.

202.29542

CAS

Similarity

N/A

ID: 47817

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

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	051305

Database	Data ID
PubChem	43165441

M. W.

204.3113

CAS

Similarity

N/A

ID: 47818

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

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	051306

Database	Data ID
PubChem	43165444

M. W.

204.3113

CAS

Similarity

N/A

ID: 47819

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

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	051307

Database	Data ID
PubChem	43165440

M. W.

204.3113

CAS

Similarity

N/A

ID: 47820

3-methyl-4-(4-methylpiperazin-1-yl)aniline

$$$$ Data

M. F.

C12H19N3

Suppliers	Catalog Number
Matrix Scientific	051308

Database	Data ID
PubChem	9115261

M. W.

205.29936

CAS

681004-50-2

Similarity

N/A

ID: 47821

4-(4-benzylpiperazin-1-yl)-3-methylaniline

$$$$ Data

M. F.

C18H23N3

Suppliers	Catalog Number
Matrix Scientific	051309

Database	Data ID
PubChem	43343006

M. W.

281.39532

CAS

Similarity

N/A

ID: 47822

4-(azepan-1-yl)-3-methylaniline

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	051310

Database	Data ID
PubChem	43165445

M. W.

204.3113

CAS

Similarity

N/A

ID: 47823

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

$$$$ Data

M. F.

C11H15N3O

Suppliers	Catalog Number
Matrix Scientific	051311

Database	Data ID
PubChem	43165449

M. W.

205.2563

CAS

Similarity

N/A

ID: 47824

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

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Matrix Scientific	051312

Database	Data ID
PubChem	43165451

M. W.

206.28412

CAS

Similarity

N/A

ID: 47825

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

$$$$ Data

M. F.

C13H22N2

Suppliers	Catalog Number
Matrix Scientific	051313

Database	Data ID
PubChem	43165450

M. W.

206.32718

CAS

Similarity

N/A

ID: 47826

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

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Matrix Scientific	051314

Database	Data ID
PubChem	43165455

M. W.

218.33788

CAS

Similarity

N/A

ID: 47827

4-(2-ethylpiperidin-1-yl)-3-methylaniline

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Matrix Scientific	051315

Database	Data ID
PubChem	43266300

M. W.

218.33788

CAS

Similarity

N/A

ID: 47828

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

$$$$ Data

M. F.

C15H18N2

Suppliers	Catalog Number
Matrix Scientific	051316

Database	Data ID
PubChem	43165465

M. W.

226.31682

CAS

Similarity

N/A

ID: 47829

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

$$$$ Data

M. F.

C15H24N2

Suppliers	Catalog Number
Matrix Scientific	051317

Database	Data ID
PubChem	43165458

M. W.

232.36446

CAS

Similarity

N/A

ID: 47830

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

$$$$ Data

M. F.

C13H21N3O

Suppliers	Catalog Number
Matrix Scientific	051318

Database	Data ID
PubChem	43501343

M. W.

235.32534

CAS

Similarity

N/A

ID: 47831

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

$$$$ Data

M. F.

C16H18N2

Suppliers	Catalog Number
Matrix Scientific	051319

Database	Data ID
PubChem	43165462

M. W.

238.32752

CAS

Similarity

N/A

ID: 47832

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

$$$$ Data

M. F.

C15H16N2

Suppliers	Catalog Number
Matrix Scientific	051320

Database	Data ID
PubChem	43165459

M. W.

224.30094

CAS

Similarity

N/A

ID: 47833

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

$$$$ Data

M. F.

C16H18N2

Suppliers	Catalog Number
Matrix Scientific	051321

Database	Data ID
PubChem	43165453

M. W.

238.32752

CAS

Similarity

N/A

ID: 47834

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

$$$$ Data

M. F.

C16H20N2

Suppliers	Catalog Number
Matrix Scientific	051322

Database	Data ID
PubChem	43165530

M. W.

240.3434

CAS

Similarity

N/A

ID: 47835

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

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
Matrix Scientific	051323

Database	Data ID
PubChem	56831525

M. W.

234.33728

CAS

Similarity

N/A

ID: 47836

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

$$$$ Data

M. F.

C8H11FN2

Suppliers	Catalog Number
ChemBridge	4034820
Matrix Scientific	051324

Database	Data ID
PubChem	23547996

M. W.

154.1847432

CAS

3824-31-5

Similarity

N/A

ID: 47837

3-fluoro-4-(pyrrolidin-1-yl)aniline

$$$$ Data

M. F.

C10H13FN2

Suppliers	Catalog Number
Matrix Scientific	051325
InterBioScreen	BB_SC-8056
Enamine	EN300-50020

Database	Data ID
PubChem	6500524

M. W.

180.2220232

CAS

93246-54-9

Similarity

N/A

ID: 47838

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

$$$$ Data

M. F.

C10H15FN2

Suppliers	Catalog Number
Matrix Scientific	051326

Database	Data ID
PubChem	33788586

M. W.

182.2379032

CAS

83800-33-3

Similarity

N/A

ID: 47839

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

$$$$ Data

M. F.

C9H13FN2O

Suppliers	Catalog Number
Matrix Scientific	051327

Database	Data ID
PubChem	43345908

M. W.

184.2107232

CAS

Similarity

N/A

ID: 47840

3-fluoro-4-(morpholin-4-yl)aniline

$$$$ Data More

M. F.

C10H13FN2O

Suppliers	Catalog Number
ChemBridge	4027086
Matrix Scientific	051328
TRC	F595895

Database	Data ID
PubChem	1485330

M. W.

196.2214232

CAS

93246-53-8

Similarity

N/A

ID: 47841

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

$$$$ Data

M. F.

C10H13FN2O

Suppliers	Catalog Number
Matrix Scientific	051329

Database	Data ID
PubChem	53407987

M. W.

196.2214232

CAS

593249-20-8

Similarity

N/A

ID: 47842

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

$$$$ Data

M. F.

C11H17FN2

Suppliers	Catalog Number
Matrix Scientific	051330

Database	Data ID
PubChem	43123579

M. W.

196.2644832

CAS

Similarity

N/A

ID: 47843

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

$$$$ Data

M. F.

C10H15FN2O

Suppliers	Catalog Number
Matrix Scientific	051331

Database	Data ID
PubChem	53408925

M. W.

198.2373032

CAS

Similarity

N/A

ID: 47844

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

$$$$ Data

M. F.

C12H15FN2

Suppliers	Catalog Number
Matrix Scientific	051332

Database	Data ID
PubChem	56831526

M. W.

206.2593032

CAS

Similarity

N/A

ID: 47845

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

$$$$ Data

M. F.

C12H17FN2

Suppliers	Catalog Number
Matrix Scientific	051333

Database	Data ID
PubChem	17609707

M. W.

208.2751832

CAS

Similarity

N/A

ID: 47846

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

$$$$ Data

M. F.

C12H17FN2

Suppliers	Catalog Number
Matrix Scientific	051334

Database	Data ID
PubChem	17609704

M. W.

208.2751832

CAS

Similarity

N/A

ID: 47847

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

$$$$ Data

M. F.

C12H17FN2

Suppliers	Catalog Number
Matrix Scientific	051335

Database	Data ID
PubChem	10608448

M. W.

208.2751832

CAS

Similarity

N/A

ID: 47848

4-(4-benzylpiperazin-1-yl)-3-fluoroaniline

$$$$ Data

M. F.

C17H20FN3

Suppliers	Catalog Number
Matrix Scientific	051336

Database	Data ID
PubChem	17609719

M. W.

285.3592032

CAS

Similarity

N/A

ID: 47849

4-(azepan-1-yl)-3-fluoroaniline

$$$$ Data

M. F.

C12H17FN2

Suppliers	Catalog Number
Matrix Scientific	051337

Database	Data ID
PubChem	10727071

M. W.

208.2751832

CAS

Similarity

N/A

ID: 47850

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

$$$$ Data

M. F.

C10H12FN3O

Suppliers	Catalog Number
Matrix Scientific	051338

Database	Data ID
PubChem	28972585

M. W.

209.2201832

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