Chembase list of 866358 unique molecular structures

2-(3-methylbutyl)piperidine hydrochloride

$$$$ Data

M. F.

C10H22ClN

Suppliers	Catalog Number
Enamine	EN300-107756

Database	Data ID
PubChem	71756141

M. W.

191.74138

CAS

Similarity

N/A

ID: 238302

tert-butyl 8-formyl-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$ Data

M. F.

C15H19NO3

Suppliers	Catalog Number
Enamine	EN300-107757

Database	Data ID
PubChem	23498609

M. W.

261.31626

CAS

Similarity

N/A

ID: 238303

1-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethan-1-one

$$$$ Data

M. F.

C13H11ClN2OS2

Suppliers	Catalog Number
Enamine	EN300-10776

Database	Data ID
PubChem	3431427

M. W.

310.82224

CAS

Similarity

N/A

ID: 238304

2-iodo-4-methoxybenzoic acid

$$$$ Data

M. F.

C8H7IO3

Suppliers	Catalog Number
Enamine	EN300-107766
Bide Pharmatech	BD241183

Database	Data ID
PubChem	12822182

M. W.

278.04385

CAS

54435-09-5

Similarity

N/A

ID: 238305

5-(pyrrolidine-1-sulfonyl)pyridin-2-ol

$$$$ Data

M. F.

C9H12N2O3S

Suppliers	Catalog Number
Enamine	EN300-10777

Database	Data ID
PubChem	3837315

M. W.

228.26818

CAS

Similarity

N/A

ID: 238306

3-bromo-2-iodobenzoic acid

$$$$ Data

M. F.

C7H4BrIO2

Suppliers	Catalog Number
Enamine	EN300-107770
Bide Pharmatech	BD219598

Database	Data ID
PubChem	11232662

M. W.

326.91393

CAS

503821-94-1

Similarity

N/A

ID: 238307

2-iodo-6-methylbenzoic acid

$$$$ Data

M. F.

C8H7IO2

Suppliers	Catalog Number
Enamine	EN300-107771

Database	Data ID
PubChem	9856531

M. W.

262.04445

CAS

Similarity

N/A

ID: 238308

3-(chlorosulfonyl)-4,5-difluorobenzoic acid

$$$$ Data

M. F.

C7H3ClF2O4S

Suppliers	Catalog Number
Enamine	EN300-107773

Database	Data ID
PubChem	16770844

M. W.

256.6111264

CAS

Similarity

N/A

ID: 238309

3-ethoxy-4-hydroxybenzonitrile

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Enamine	EN300-10778

Database	Data ID
PubChem	3800659

M. W.

163.17326

CAS

60758-79-4

Similarity

N/A

ID: 238310

5-(chlorosulfonyl)-2,3-dimethylbenzoic acid

$$$$ Data

M. F.

C9H9ClO4S

Suppliers	Catalog Number
Enamine	EN300-107780

Database	Data ID
PubChem	43118888

M. W.

248.68336

CAS

Similarity

N/A

ID: 238311

tert-butyl N-(4-methyl-1,3-thiazol-5-yl)carbamate

$$$$ Data

M. F.

C9H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-107782

Database	Data ID
PubChem	71756142

M. W.

214.28466

CAS

Similarity

N/A

ID: 238312

spiro[oxirane-2,8'-pentacyclo[5.4.0.0²,⁶.0³,

$$$$ Data

M. F.

C12H14O

Suppliers	Catalog Number
Enamine	EN300-107788

Database	Data ID
PubChem	71756143

M. W.

174.23896

CAS

Similarity

N/A

ID: 238313

3-(2-bromobenzenesulfonamido)propanoic acid

$$$$ Data

M. F.

C9H10BrNO4S

Suppliers	Catalog Number
Enamine	EN300-10781

Database	Data ID
PubChem	2473181

M. W.

308.149

CAS

Similarity

N/A

ID: 238314

cyclopentyl(pyrimidin-2-yl)methanol

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-107814

Database	Data ID
PubChem	19892757

M. W.

178.23096

CAS

Similarity

N/A

ID: 238315

6-chloro-4-methoxypyridazin-3-amine

$$$$ Data

M. F.

C5H6ClN3O

Suppliers	Catalog Number
Enamine	EN300-107819

Database	Data ID
PubChem	58694558

M. W.

159.57364

CAS

Similarity

N/A

ID: 238316

4-chloro-3-{[(2,4-dichlorophenyl)methyl]sulfamoyl}benzoic acid

$$$$ Data

M. F.

C14H10Cl3NO4S

Suppliers	Catalog Number
Enamine	EN300-10782

Database	Data ID
PubChem	2090083

M. W.

394.6575

CAS

Similarity

N/A

ID: 238317

3-(1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride

$$$$ Data

M. F.

C5H10ClN3O

Suppliers	Catalog Number
Enamine	EN300-107822

Database	Data ID
PubChem	71756144

M. W.

163.6054

CAS

Similarity

N/A

ID: 238318

2-(2H-1,2,3,4-tetrazol-2-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C3H8ClN5

Suppliers	Catalog Number
Enamine	EN300-107823

Database	Data ID
PubChem	71756146

M. W.

149.58212

CAS

Similarity

N/A

ID: 238319

4-bromo-3-(3,4-dimethylphenyl)-1H-pyrazole

$$$$ Data

M. F.

C11H11BrN2

Suppliers	Catalog Number
Enamine	EN300-107824

Database	Data ID
PubChem	22032292

M. W.

251.12244

CAS

Similarity

N/A

ID: 238320

ethyl 5-oxooxolane-3-carboxylate

$$$$ Data

M. F.

C7H10O4

Suppliers	Catalog Number
Enamine	EN300-107825

Database	Data ID
PubChem	21586084

M. W.

158.1519

CAS

Similarity

N/A

ID: 238321

3-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile

$$$$ Data

M. F.

C11H14BNO2S

Suppliers	Catalog Number
Enamine	EN300-107826

Database	Data ID
PubChem	15979305

M. W.

235.11036

CAS

Similarity

N/A

ID: 238322

3-[2-(pyrrolidin-1-yl)ethoxy]pyrrolidine dihydrochloride

$$$$ Data

M. F.

C10H22Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-107827

Database	Data ID
PubChem	71756147

M. W.

257.20048

CAS

Similarity

N/A

ID: 238323

2-amino-1-[3-(benzyloxy)phenyl]ethan-1-ol

$$$$ Data

M. F.

C15H17NO2

Suppliers	Catalog Number
Enamine	EN300-107828

Database	Data ID
PubChem	561809

M. W.

243.30098

CAS

Similarity

N/A

ID: 238324

5-methyl-1H-imidazol-2-amine

$$$$ Data

M. F.

C4H7N3

Suppliers	Catalog Number
Enamine	EN300-107829
A&J Pharmtech	AJA-O10961 AJA-O23648 AJA-O13806

Database	Data ID
PubChem	322559

M. W.

97.11848

CAS

6653-42-5

Similarity

N/A

ID: 238325

2-[(2E)-3-phenylprop-2-enamido]propanoic acid

$$$$ Data

M. F.

C12H13NO3

Suppliers	Catalog Number
Enamine	EN300-10783

Database	Data ID
PubChem	5916168

M. W.

219.23652

CAS

Similarity

N/A

ID: 238326

5-bromo-3,3-diethyl-2,3-dihydro-1H-indole hydrochloride

$$$$ Data

M. F.

C12H17BrClN

Suppliers	Catalog Number
Enamine	EN300-107830

Database	Data ID
PubChem	71756148

M. W.

290.62708

CAS

Similarity

N/A

ID: 238327

4-bromo-3-(4-chlorophenyl)-1H-pyrazole

$$$$ Data

M. F.

C9H6BrClN2

Suppliers	Catalog Number
Enamine	EN300-107832

Database	Data ID
PubChem	22031839

M. W.

257.51434

CAS

Similarity

N/A

ID: 238328

4-[3-chloro-4-(1-hydroxyethyl)phenyl]piperazin-2-one

$$$$ Data

M. F.

C12H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-107833

Database	Data ID
PubChem	64328680

M. W.

254.7127

CAS

Similarity

N/A

ID: 238329

ethyl 6-(morpholin-4-yl)pyridine-3-carboxylate

$$$$ Data

M. F.

C12H16N2O3

Suppliers	Catalog Number
Enamine	EN300-107834

Database	Data ID
PubChem	14297054

M. W.

236.26704

CAS

Similarity

N/A

ID: 238330

[(4-chloro-1H-pyrrol-2-yl)methyl](methyl)amine

$$$$ Data

M. F.

C6H9ClN2

Suppliers	Catalog Number
Enamine	EN300-107836

Database	Data ID
PubChem	71756149

M. W.

144.60206

CAS

Similarity

N/A

ID: 238331

2-chloro-N-(2-chloro-5-sulfamoylphenyl)acetamide

$$$$ Data

M. F.

C8H8Cl2N2O3S

Suppliers	Catalog Number
Enamine	EN300-107837

Database	Data ID
PubChem	43700516

M. W.

283.13172

CAS

Similarity

N/A

ID: 238332

5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-hydroxy-3-methylbenzoic aci...

$$$$ Data

M. F.

C17H13NO5

Suppliers	Catalog Number
Enamine	EN300-10784

Database	Data ID
PubChem	2473177

M. W.

311.28882

CAS

Similarity

N/A

ID: 238333

2-chloro-N-[5-methyl-2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide

$$$$ Data

M. F.

C12H13ClN4O

Suppliers	Catalog Number
Enamine	EN300-107840

Database	Data ID
PubChem	71756150

M. W.

264.71082

CAS

Similarity

N/A

ID: 238334

1-(3-methyl-1,1-dioxo-1λ⁶-thiolan-3-yl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C9H12N2O3S

Suppliers	Catalog Number
Enamine	EN300-107841

Database	Data ID
PubChem	60923488

M. W.

228.26818

CAS

Similarity

N/A

ID: 238335

[1-(2-ethoxyethyl)cyclopentyl]methanamine

$$$$ Data

M. F.

C10H21NO

Suppliers	Catalog Number
Enamine	EN300-107842

Database	Data ID
PubChem	62724287

M. W.

171.27984

CAS

Similarity

N/A

ID: 238336

2-methyl-2-(1-methyl-1H-pyrazol-4-yl)morpholine

$$$$ Data

M. F.

C9H15N3O

Suppliers	Catalog Number
Enamine	EN300-107843

Database	Data ID
PubChem	71756151

M. W.

181.2349

CAS

Similarity

N/A

ID: 238337

3-bromo-2,5-dimethylthiophene

$$$$ Data

M. F.

C6H7BrS

Suppliers	Catalog Number
Enamine	EN300-107844

Database	Data ID
PubChem	638585

M. W.

191.08878

CAS

Similarity

N/A

ID: 238338

2-(diethylamino)ethyl 2-phenylbutanoate

$$$$ Data

M. F.

C16H25NO2

Suppliers	Catalog Number
Enamine	EN300-107845

Database	Data ID
PubChem	27368

M. W.

263.3752

CAS

Similarity

N/A

ID: 238339

2-(thiophen-2-yl)morpholine

$$$$ Data

M. F.

C8H11NOS

Suppliers	Catalog Number
Enamine	EN300-107846
A&J Pharmtech	AJA-O2894

Database	Data ID
PubChem	3059155

M. W.

169.24404

CAS

76175-49-0

Similarity

N/A

ID: 238340

5-iodo-1,2,3,4-tetrahydronaphthalene

$$$$ Data

M. F.

C10H11I

Suppliers	Catalog Number
Enamine	EN300-107847
A&J Pharmtech	AJA-O9814

Database	Data ID
PubChem	582947

M. W.

258.09881

CAS

Similarity

N/A

ID: 238341

4-(1,3-dioxolan-2-yl)furan-2-sulfonyl chloride

$$$$ Data

M. F.

C7H7ClO5S

Suppliers	Catalog Number
Enamine	EN300-107848

Database	Data ID
PubChem	71756152

M. W.

238.64548

CAS

Similarity

N/A

ID: 238342

N-(but-2-yn-1-yl)cyclopentanamine

$$$$ Data

M. F.

C9H15N

Suppliers	Catalog Number
Enamine	EN300-107849

Database	Data ID
PubChem	62311529

M. W.

137.2221

CAS

Similarity

N/A

ID: 238343

3-amino-4-(diethylamino)benzene-1-sulfonamide

$$$$ Data

M. F.

C10H17N3O2S

Suppliers	Catalog Number
Enamine	EN300-10785

Database	Data ID
PubChem	3710393

M. W.

243.32588

CAS

41893-78-1

Similarity

N/A

ID: 238344

5-(chloromethyl)-2-(2,2,2-trifluoroethoxy)pyridine

$$$$ Data

M. F.

C8H7ClF3NO

Suppliers	Catalog Number
Enamine	EN300-107851
A&J Pharmtech	AJA-O18533

Database	Data ID
PubChem	21698296

M. W.

225.5954896

CAS

159981-21-2

Similarity

N/A

ID: 238345

2-(2-chloro-4-methoxyphenyl)ethan-1-amine

$$$$ Data

M. F.

C9H12ClNO

Suppliers	Catalog Number
Enamine	EN300-107853

Database	Data ID
PubChem	13643614

M. W.

185.65068

CAS

Similarity

N/A

ID: 238346

N-(but-3-yn-1-yl)cyclopentanamine

$$$$ Data

M. F.

C9H15N

Suppliers	Catalog Number
Enamine	EN300-107854

Database	Data ID
PubChem	61688043

M. W.

137.2221

CAS

Similarity

N/A

ID: 238347

2-{[(tert-butoxy)carbonyl](2-methylpropyl)amino}acetic acid

$$$$ Data

M. F.

C11H21NO4

Suppliers	Catalog Number
Enamine	EN300-107855

Database	Data ID
PubChem	23033833

M. W.

231.28874

CAS

Similarity

N/A

ID: 238348

5-acetyl-2-chlorobenzene-1-sulfonamide

$$$$ Data

M. F.

C8H8ClNO3S

Suppliers	Catalog Number
Enamine	EN300-107856

Database	Data ID
PubChem	12619798

M. W.

233.67202

CAS

Similarity

N/A

ID: 238349

{[3-(trifluoromethyl)phenyl]methyl}boronic acid

$$$$ Data

M. F.

C8H8BF3O2

Suppliers	Catalog Number
Enamine	EN300-107857

Database	Data ID
PubChem	63704602

M. W.

203.9541296

CAS

Similarity

N/A

ID: 238350

1-(4-chlorophenyl)butan-1-amine hydrochloride

$$$$ Data

M. F.

C10H15Cl2N

Suppliers	Catalog Number
Enamine	EN300-107859

Database	Data ID
PubChem	71756153

M. W.

220.1388

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