Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038325

Database	Data ID
PubChem	25219707

M. W.

222.12274

CAS

Similarity

N/A

ID: 35552

3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-amine

$$$$ Data

M. F.

C13H20ClN3

Suppliers	Catalog Number
Matrix Scientific	038326
Enamine	EN300-71889

Database	Data ID
PubChem	3506759

M. W.

253.771

CAS

Similarity

N/A

ID: 35553

3-(2-ethylpiperidin-1-yl)propan-1-amine

$$$$ Data

M. F.

C10H22N2

Suppliers	Catalog Number
Matrix Scientific	038327

Database	Data ID
PubChem	4117479

M. W.

170.29508

CAS

Similarity

N/A

ID: 35554

3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine

$$$$ Data

M. F.

C14H23N3O

Suppliers	Catalog Number
Matrix Scientific	038328
Enamine	EN300-14112

Database	Data ID
PubChem	2197701

M. W.

249.35192

CAS

40255-50-3

Similarity

N/A

ID: 35555

2-bromo-N,N-dipropylbutanamide

$$$$ Data

M. F.

C10H20BrNO

Suppliers	Catalog Number
Matrix Scientific	038329

Database	Data ID
PubChem	13036611

M. W.

250.1759

CAS

Similarity

N/A

ID: 35556

2-bromo-1-(4-methylpiperidin-1-yl)butan-1-one

$$$$ Data

M. F.

C10H18BrNO

Suppliers	Catalog Number
Matrix Scientific	038330

Database	Data ID
PubChem	25219708

M. W.

248.16002

CAS

Similarity

N/A

ID: 35557

2-bromo-N-cyclopentylbutanamide

$$$$ Data

M. F.

C9H16BrNO

Suppliers	Catalog Number
ChemBridge	4024586
Matrix Scientific	038331

Database	Data ID
PubChem	16481146

M. W.

234.13344

CAS

905811-01-0

Similarity

N/A

ID: 35558

2-bromo-N-cyclohexylbutanamide

$$$$ Data

M. F.

C10H18BrNO

Suppliers	Catalog Number
ChemBridge	4024585
Matrix Scientific	038332

Database	Data ID
PubChem	16481145

M. W.

248.16002

CAS

905810-22-2

Similarity

N/A

ID: 35559

2-bromo-N-(4-ethoxyphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO2

Suppliers	Catalog Number
Matrix Scientific	038333

Database	Data ID
PubChem	4568701

M. W.

286.16494

CAS

Similarity

N/A

ID: 35560

2-bromo-N-(4-ethylphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038334

Database	Data ID
PubChem	25219709

M. W.

270.16554

CAS

Similarity

N/A

ID: 35561

2-bromo-1-(2-ethylpiperidin-1-yl)butan-1-one

$$$$ Data

M. F.

C11H20BrNO

Suppliers	Catalog Number
Matrix Scientific	038335

Database	Data ID
PubChem	25219710

M. W.

262.1866

CAS

Similarity

N/A

ID: 35562

2-bromo-1-(2-methylpiperidin-1-yl)butan-1-one

$$$$ Data

M. F.

C10H18BrNO

Suppliers	Catalog Number
Matrix Scientific	038336

Database	Data ID
PubChem	13036625

M. W.

248.16002

CAS

Similarity

N/A

ID: 35563

2-bromo-1-(pyrrolidin-1-yl)butan-1-one

$$$$ Data

M. F.

C8H14BrNO

Suppliers	Catalog Number
ChemBridge	3020433
Matrix Scientific	038337

Database	Data ID
PubChem	25219711

M. W.

220.10686

CAS

1119450-19-9

Similarity

N/A

ID: 35564

2-bromo-N-(2-methoxyethyl)butanamide

$$$$ Data

M. F.

C7H14BrNO2

Suppliers	Catalog Number
Matrix Scientific	038338

Database	Data ID
PubChem	25219712

M. W.

224.09556

CAS

Similarity

N/A

ID: 35565

2-bromo-N-(2-methoxyphenyl)butanamide

$$$$ Data

M. F.

C11H14BrNO2

Suppliers	Catalog Number
Matrix Scientific	038339

Database	Data ID
PubChem	16486411

M. W.

272.13836

CAS

Similarity

N/A

ID: 35566

2-bromo-N-(2-ethoxyphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO2

Suppliers	Catalog Number
Matrix Scientific	038340

Database	Data ID
PubChem	25219713

M. W.

286.16494

CAS

Similarity

N/A

ID: 35567

2-bromo-N-(3-methylphenyl)butanamide

$$$$ Data

M. F.

C11H14BrNO

Suppliers	Catalog Number
Matrix Scientific	038341

Database	Data ID
PubChem	25219714

M. W.

256.13896

CAS

Similarity

N/A

ID: 35568

2-bromo-N-(3-chlorophenyl)butanamide

$$$$ Data

M. F.

C10H11BrClNO

Suppliers	Catalog Number
Matrix Scientific	038342

Database	Data ID
PubChem	4301730

M. W.

276.55744

CAS

Similarity

N/A

ID: 35569

2-bromo-N-(2-methoxy-5-methylphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO2

Suppliers	Catalog Number
Matrix Scientific	038343

Database	Data ID
PubChem	4568700

M. W.

286.16494

CAS

Similarity

N/A

ID: 35570

2-bromo-1-(3,5-dimethylpiperidin-1-yl)butan-1-one

$$$$ Data

M. F.

C11H20BrNO

Suppliers	Catalog Number
Matrix Scientific	038344

Database	Data ID
PubChem	25219715

M. W.

262.1866

CAS

Similarity

N/A

ID: 35571

ethyl 1-(2-bromobutanoyl)piperidine-3-carboxylate

$$$$ Data

M. F.

C12H20BrNO3

Suppliers	Catalog Number
Matrix Scientific	038345

Database	Data ID
PubChem	25219716

M. W.

306.1961

CAS

Similarity

N/A

ID: 35572

2-bromo-N-(3-methoxypropyl)butanamide

$$$$ Data

M. F.

C8H16BrNO2

Suppliers	Catalog Number
Matrix Scientific	038346

Database	Data ID
PubChem	25219717

M. W.

238.12214

CAS

Similarity

N/A

ID: 35573

2-bromo-N-(4-methoxyphenyl)butanamide

$$$$ Data

M. F.

C11H14BrNO2

Suppliers	Catalog Number
Matrix Scientific	038347

Database	Data ID
PubChem	4568703

M. W.

272.13836

CAS

Similarity

N/A

ID: 35574

2-bromo-N-(2,5-dimethoxyphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO3

Suppliers	Catalog Number
Matrix Scientific	038348

Database	Data ID
PubChem	5171091

M. W.

302.16434

CAS

Similarity

N/A

ID: 35575

N-(2H-1,3-benzodioxol-5-yl)-2-bromobutanamide

$$$$ Data

M. F.

C11H12BrNO3

Suppliers	Catalog Number
Matrix Scientific	038349

Database	Data ID
PubChem	5171093

M. W.

286.12188

CAS

Similarity

N/A

ID: 35576

2-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

$$$$ Data

M. F.

C14H20BrNO3

Suppliers	Catalog Number
Matrix Scientific	038350

Database	Data ID
PubChem	5171094

M. W.

330.2175

CAS

Similarity

N/A

ID: 35577

2-bromo-N-(4-bromophenyl)butanamide

$$$$ Data

M. F.

C10H11Br2NO

Suppliers	Catalog Number
Matrix Scientific	038351

Database	Data ID
PubChem	25219718

M. W.

321.00844

CAS

Similarity

N/A

ID: 35578

methyl 2-(2-bromobutanamido)benzoate

$$$$ Data

M. F.

C12H14BrNO3

Suppliers	Catalog Number
Matrix Scientific	038352

Database	Data ID
PubChem	25219719

M. W.

300.14846

CAS

Similarity

N/A

ID: 35579

2-bromo-N-[3-(diethylamino)propyl]butanamide

$$$$ Data

M. F.

C11H23BrN2O

Suppliers	Catalog Number
Matrix Scientific	038353

Database	Data ID
PubChem	25219720

M. W.

279.21712

CAS

Similarity

N/A

ID: 35580

2-bromo-1-(piperidin-1-yl)butan-1-one

$$$$ Data

M. F.

C9H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038354

Database	Data ID
PubChem	13036622

M. W.

234.13344

CAS

Similarity

N/A

ID: 35581

2-bromo-N-butyl-N-methylbutanamide

$$$$ Data

M. F.

C9H18BrNO

Suppliers	Catalog Number
Matrix Scientific	038355

Database	Data ID
PubChem	25219721

M. W.

236.14932

CAS

Similarity

N/A

ID: 35582

2-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-amine

$$$$ Data

M. F.

C13H21N3O

Suppliers	Catalog Number
Matrix Scientific	038356
Life Chemicals	F2158-0050
A&J Pharmtech	AJA-O34381

Database	Data ID
PubChem	1256108

M. W.

235.32534

CAS

20529-26-4

Similarity

N/A

ID: 35583

2-bromo-N-(3,4-dimethylphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038357

Database	Data ID
PubChem	25219722

M. W.

270.16554

CAS

Similarity

N/A

ID: 35584

2-bromo-N-(2,5-dimethylphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038358

Database	Data ID
PubChem	16486410

M. W.

270.16554

CAS

Similarity

N/A

ID: 35585

2-bromo-N-(4-fluorophenyl)butanamide

$$$$ Data

M. F.

C10H11BrFNO

Suppliers	Catalog Number
Matrix Scientific	038359

Database	Data ID
PubChem	25219723

M. W.

260.1028432

CAS

Similarity

N/A

ID: 35586

2-bromo-N-(5-chloro-2-methylphenyl)butanamide

$$$$ Data

M. F.

C11H13BrClNO

Suppliers	Catalog Number
Matrix Scientific	038360

Database	Data ID
PubChem	25219724

M. W.

290.58402

CAS

Similarity

N/A

ID: 35587

2-bromo-N-(2,4,6-trimethylphenyl)butanamide

$$$$ Data

M. F.

C13H18BrNO

Suppliers	Catalog Number
Matrix Scientific	038361

Database	Data ID
PubChem	14813183

M. W.

284.19212

CAS

Similarity

N/A

ID: 35588

2-bromo-N-(2-phenylethyl)butanamide

$$$$ Data

M. F.

C12H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038362

Database	Data ID
PubChem	25219725

M. W.

270.16554

CAS

Similarity

N/A

ID: 35589

2-bromo-N-(4-chlorophenyl)butanamide

$$$$ Data

M. F.

C10H11BrClNO

Suppliers	Catalog Number
Matrix Scientific	038363

Database	Data ID
PubChem	13852416

M. W.

276.55744

CAS

Similarity

N/A

ID: 35590

2-bromo-N-(2-ethyl-6-methylphenyl)butanamide

$$$$ Data

M. F.

C13H18BrNO

Suppliers	Catalog Number
Matrix Scientific	038364

Database	Data ID
PubChem	12546823

M. W.

284.19212

CAS

Similarity

N/A

ID: 35591

2-bromo-N-(2,6-dimethylphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038365

Database	Data ID
PubChem	13010804

M. W.

270.16554

CAS

Similarity

N/A

ID: 35592

2-bromo-N-(5-chloro-2-methoxyphenyl)butanamide

$$$$ Data

M. F.

C11H13BrClNO2

Suppliers	Catalog Number
Matrix Scientific	038366

Database	Data ID
PubChem	25219726

M. W.

306.58342

CAS

Similarity

N/A

ID: 35593

2-bromo-N-(2,6-diethylphenyl)butanamide

$$$$ Data

M. F.

C14H20BrNO

Suppliers	Catalog Number
Matrix Scientific	038367

Database	Data ID
PubChem	12546822

M. W.

298.2187

CAS

Similarity

N/A

ID: 35594

ethyl 4-(2-bromobutanamido)benzoate

$$$$ Data

M. F.

C13H16BrNO3

Suppliers	Catalog Number
Matrix Scientific	038368

Database	Data ID
PubChem	25219727

M. W.

314.17504

CAS

Similarity

N/A

ID: 35595

2-bromo-N-(3-chloro-4-methoxyphenyl)butanamide

$$$$ Data

M. F.

C11H13BrClNO2

Suppliers	Catalog Number
Matrix Scientific	038369

Database	Data ID
PubChem	25219728

M. W.

306.58342

CAS

Similarity

N/A

ID: 35596

2,3-dichloro-N-methylaniline

$$$$ Data

M. F.

C7H7Cl2N

Suppliers	Catalog Number
Matrix Scientific	038370

Database	Data ID
PubChem	10899189

M. W.

176.04318

CAS

Similarity

N/A

ID: 35597

2,6-diethyl-N-methylaniline

$$$$ Data

M. F.

C11H17N

Suppliers	Catalog Number
Matrix Scientific	038371

Database	Data ID
PubChem	15569855

M. W.

163.25938

CAS

Similarity

N/A

ID: 35598

(3-aminopropyl)(butyl)methylamine

$$$$ Data

M. F.

C8H20N2

Suppliers	Catalog Number
Matrix Scientific	038372

Database	Data ID
PubChem	7138379

M. W.

144.2578

CAS

Similarity

N/A

ID: 35599

3-methyl-N-propylaniline

$$$$ Data

M. F.

C10H15N

Suppliers	Catalog Number
Sigma Aldrich	534706
Matrix Scientific	038373

Database	Data ID
PubChem	4196607

M. W.

149.2328

CAS

142031-46-7

Similarity

N/A

ID: 35600

3-chloro-N-propylaniline

$$$$ Data

M. F.

C9H12ClN

Suppliers	Catalog Number
Matrix Scientific	038374

Database	Data ID
PubChem	18322275

M. W.

169.65128

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