Chembase list of 866358 unique molecular structures

5-(4-methoxyphenyl)-6-methyl-2-sulfanylpyridine-3-carbonitrile

$$$$ Data

M. F.

C14H12N2OS

Suppliers	Catalog Number
Enamine	EN300-99296

Database	Data ID
PubChem	63896267

M. W.

256.32288

CAS

Similarity

N/A

ID: 286402

bis(3-methoxyphenyl)methanone

$$$$ Data

M. F.

C15H14O3

Suppliers	Catalog Number
Enamine	EN300-99297

Database	Data ID
PubChem	12548810

M. W.

242.26986

CAS

Similarity

N/A

ID: 286403

ethyl (2S)-2-(methylamino)propanoate

$$$$ Data

M. F.

C6H13NO2

Suppliers	Catalog Number
Enamine	EN300-99299

Database	Data ID
PubChem	13353059

M. W.

131.17292

CAS

Similarity

N/A

ID: 286404

4-hydroxypiperidine-4-carbonitrile hydrochloride

$$$$ Data

M. F.

C6H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-99300

Database	Data ID
PubChem	73994865

M. W.

162.61734

CAS

Similarity

N/A

ID: 286405

(3-aminopropyl)dibenzylamine

$$$$ Data

M. F.

C17H22N2

Suppliers	Catalog Number
Enamine	EN300-99302

Database	Data ID
PubChem	11436748

M. W.

254.36998

CAS

Similarity

N/A

ID: 286406

2-(3-chlorophenoxy)ethan-1-ol

$$$$ Data

M. F.

C8H9ClO2

Suppliers	Catalog Number
Enamine	EN300-99303

Database	Data ID
PubChem	80270

M. W.

172.60886

CAS

Similarity

N/A

ID: 286407

bis(2-aminoethyl)[2-(morpholin-4-yl)ethyl]amine

$$$$ Data

M. F.

C10H24N4O

Suppliers	Catalog Number
Enamine	EN300-99304

Database	Data ID
PubChem	62922413

M. W.

216.32376

CAS

Similarity

N/A

ID: 286408

2-chloro-1-(2,4-difluoro-5-methylphenyl)ethan-1-one

$$$$ Data

M. F.

C9H7ClF2O

Suppliers	Catalog Number
Enamine	EN300-99312

Database	Data ID
PubChem	73994866

M. W.

204.6010864

CAS

Similarity

N/A

ID: 286409

2-[(4-chlorophenyl)methyl]-3-phenylpropanoic acid

$$$$ Data

M. F.

C16H15ClO2

Suppliers	Catalog Number
Enamine	EN300-99313

Database	Data ID
PubChem	21023748

M. W.

274.7421

CAS

Similarity

N/A

ID: 286410

4-tert-butyl-1,3-thiazol-5-amine

$$$$ Data

M. F.

C7H12N2S

Suppliers	Catalog Number
Enamine	EN300-99315

Database	Data ID
PubChem	62082370

M. W.

156.24858

CAS

Similarity

N/A

ID: 286411

7-oxa-1-azaspiro[3.5]nonane

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Enamine	EN300-99316

Database	Data ID
PubChem	55279771

M. W.

127.18422

CAS

Similarity

N/A

ID: 286412

2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Enamine	EN300-99317

Database	Data ID
PubChem	50742480

M. W.

163.21632

CAS

Similarity

N/A

ID: 286413

3-butoxy-2,2-dimethylcyclobutan-1-amine

$$$$ Data

M. F.

C10H21NO

Suppliers	Catalog Number
Enamine	EN300-99318

Database	Data ID
PubChem	66356849

M. W.

171.27984

CAS

Similarity

N/A

ID: 286414

3-methyl-8-azabicyclo[3.2.1]octan-3-ol hydrochloride

$$$$ Data

M. F.

C8H16ClNO

Suppliers	Catalog Number
Enamine	EN300-99319

Database	Data ID
PubChem	66639778

M. W.

177.67174

CAS

Similarity

N/A

ID: 286415

2-{[(2-ethyl-1,3-thiazol-5-yl)methyl]amino}acetic acid dihydrochloride

$$$$ Data

M. F.

C8H14Cl2N2O2S

Suppliers	Catalog Number
Enamine	EN300-99320

Database	Data ID
PubChem	72153642

M. W.

273.17996

CAS

Similarity

N/A

ID: 286416

3-amino-1-methylpiperidin-2-one

$$$$ Data

M. F.

C6H12N2O

Suppliers	Catalog Number
Enamine	EN300-99332

Database	Data ID
PubChem	14996536

M. W.

128.17228

CAS

Similarity

N/A

ID: 286417

1-(3-aminophenyl)-4-methylpentan-3-one

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Enamine	EN300-99353

Database	Data ID
PubChem	72109105

M. W.

191.26948

CAS

Similarity

N/A

ID: 286418

4-methylpiperidine-2,6-dione

$$$$ Data

M. F.

C6H9NO2

Suppliers	Catalog Number
Enamine	EN300-99356

Database	Data ID
PubChem	95858

M. W.

127.14116

CAS

Similarity

N/A

ID: 286419

3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid

$$$$ Data

M. F.

C8H5IN2O2

Suppliers	Catalog Number
Enamine	EN300-99357

Database	Data ID
PubChem	59588464

M. W.

288.04197

CAS

Similarity

N/A

ID: 286420

5-chloro-2-(oxolan-3-yloxy)benzonitrile

$$$$ Data

M. F.

C11H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-99358

Database	Data ID
PubChem	63558848

M. W.

223.6556

CAS

Similarity

N/A

ID: 286421

(2,5-dimethylphenyl)(3-methanesulfonylphenyl)methanone

$$$$ Data

M. F.

C16H16O3S

Suppliers	Catalog Number
Enamine	EN300-99359

Database	Data ID
PubChem	43337278

M. W.

288.36144

CAS

Similarity

N/A

ID: 286422

3-amino-1-(propan-2-yl)pyrrolidine-2,5-dione hydrochloride

$$$$ Data

M. F.

C7H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-99360

Database	Data ID
PubChem	72154403

M. W.

192.64332

CAS

Similarity

N/A

ID: 286423

2-(2-bromophenyl)-1λ⁶,2-thiazolidine-1,1-dione

$$$$ Data

M. F.

C9H10BrNO2S

Suppliers	Catalog Number
Enamine	EN300-99361
Bide Pharmatech	BD227655

Database	Data ID
PubChem	12544216

M. W.

276.1502

CAS

71703-14-5

Similarity

N/A

ID: 286424

2-oxa-8-azaspiro[4.5]decan-1-one hydrochloride

$$$$ Data

M. F.

C8H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-99362

Database	Data ID
PubChem	55265571

M. W.

191.65526

CAS

Similarity

N/A

ID: 286425

methyl 2-[(5-bromopyridin-2-yl)amino]acetate

$$$$ Data

M. F.

C8H9BrN2O2

Suppliers	Catalog Number
Enamine	EN300-99363

Database	Data ID
PubChem	22139049

M. W.

245.07326

CAS

Similarity

N/A

ID: 286426

3-ethoxy-2,2-diethylcyclobutan-1-one

$$$$ Data

M. F.

C10H18O2

Suppliers	Catalog Number
Enamine	EN300-99367

Database	Data ID
PubChem	44249467

M. W.

170.24872

CAS

Similarity

N/A

ID: 286427

3,3-dimethyl-1-(methylsulfanyl)butan-2-one

$$$$ Data

M. F.

C7H14OS

Suppliers	Catalog Number
Enamine	EN300-99368

Database	Data ID
PubChem	170168

M. W.

146.25046

CAS

Similarity

N/A

ID: 286428

2-(2-methoxyethoxy)propanehydrazide

$$$$ Data

M. F.

C6H14N2O3

Suppliers	Catalog Number
Enamine	EN300-99369

Database	Data ID
PubChem	63575753

M. W.

162.18696

CAS

Similarity

N/A

ID: 286429

4-phenoxybutanal

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Enamine	EN300-99370

Database	Data ID
PubChem	13036102

M. W.

164.20108

CAS

Similarity

N/A

ID: 286430

4-(2,2-difluoroethoxy)aniline

$$$$ Data

M. F.

C8H9F2NO

Suppliers	Catalog Number
Enamine	EN300-99371

Database	Data ID
PubChem	459263

M. W.

173.1599664

CAS

Similarity

N/A

ID: 286431

1-(ethenyloxy)-3-methylbenzene

$$$$ Data

M. F.

C9H10O

Suppliers	Catalog Number
Enamine	EN300-99373

Database	Data ID
PubChem	12336202

M. W.

134.1751

CAS

Similarity

N/A

ID: 286432

3-cyclohexylbutan-2-amine

$$$$ Data

M. F.

C10H21N

Suppliers	Catalog Number
Enamine	EN300-99375

Database	Data ID
PubChem	65439714

M. W.

155.28044

CAS

Similarity

N/A

ID: 286433

4-(propan-2-yl)piperidin-4-ol hydrochloride

$$$$ Data

M. F.

C8H18ClNO

Suppliers	Catalog Number
Enamine	EN300-99380

Database	Data ID
PubChem	73994867

M. W.

179.68762

CAS

Similarity

N/A

ID: 286434

methyl 3-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoate hydrochloride

$$$$ Data

M. F.

C10H19ClN2O3

Suppliers	Catalog Number
Enamine	EN300-99388

Database	Data ID
PubChem	72140415

M. W.

250.72246

CAS

Similarity

N/A

ID: 286435

2-(6-fluoro-1-benzofuran-3-yl)acetic acid

$$$$ Data

M. F.

C10H7FO3

Suppliers	Catalog Number
Enamine	EN300-99389

Database	Data ID
PubChem	28745768

M. W.

194.1591832

CAS

Similarity

N/A

ID: 286436

2-(oxolan-3-yloxy)acetic acid

$$$$ Data

M. F.

C6H10O4

Suppliers	Catalog Number
Enamine	EN300-99391

Database	Data ID
PubChem	63556415

M. W.

146.1412

CAS

Similarity

N/A

ID: 286437

4-bromo-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole

$$$$ Data

M. F.

C6H7BrF2N2

Suppliers	Catalog Number
Enamine	EN300-99392

Database	Data ID
PubChem	2396986

M. W.

225.0339864

CAS

Similarity

N/A

ID: 286438

2-cyclohexyl-2-methylpropanoic acid

$$$$ Data

M. F.

C10H18O2

Suppliers	Catalog Number
Enamine	EN300-99409

Database	Data ID
PubChem	177742

M. W.

170.24872

CAS

Similarity

N/A

ID: 286439

tert-butyl N-(5-methylthiophen-3-yl)carbamate

$$$$ Data

M. F.

C10H15NO2S

Suppliers	Catalog Number
Enamine	EN300-99411
Bide Pharmatech	BD254359

Database	Data ID
PubChem	71607466

M. W.

213.2966

CAS

1251734-12-9

Similarity

N/A

ID: 286440

3-(3,3,3-trifluoropropyl)aniline

$$$$ Data

M. F.

C9H10F3N

Suppliers	Catalog Number
Enamine	EN300-99416

Database	Data ID
PubChem	66570508

M. W.

189.1776096

CAS

Similarity

N/A

ID: 286441

2-(3,3,3-trifluoropropyl)aniline

$$$$ Data

M. F.

C9H10F3N

Suppliers	Catalog Number
Enamine	EN300-99417

Database	Data ID
PubChem	73994868

M. W.

189.1776096

CAS

Similarity

N/A

ID: 286442

ethyl 5-methyl-3-oxohexanoate

$$$$ Data

M. F.

C9H16O3

Suppliers	Catalog Number
Enamine	EN300-99421
Bide Pharmatech	BD28424

Database	Data ID
PubChem	96344

M. W.

172.22154

CAS

34036-16-3

Similarity

N/A

ID: 286443

benzyl(4-bromobutyl)(propan-2-yl)amine hydrobromide

$$$$ Data

M. F.

C14H23Br2N

Suppliers	Catalog Number
Enamine	EN300-99438

Database	Data ID
PubChem	73994869

M. W.

365.14712

CAS

Similarity

N/A

ID: 286444

quinolin-4-ylmethanamine

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
ChemBridge	4002122
Enamine	EN300-99439
A&J Pharmtech	AJA-O35662

Database	Data ID
PubChem	12017326

M. W.

158.1998

CAS

5632-13-3

Similarity

N/A

ID: 286445

2-(2-ethoxyphenoxy)benzoic acid

$$$$ Data

M. F.

C15H14O4

Suppliers	Catalog Number
Enamine	EN300-99440

Database	Data ID
PubChem	28605062

M. W.

258.26926

CAS

Similarity

N/A

ID: 286446

4-[(tert-butoxy)carbonyl]-1-carbamoylpiperazine-2-carboxylic acid

$$$$ Data

M. F.

C11H19N3O5

Suppliers	Catalog Number
Enamine	EN300-99441

Database	Data ID
PubChem	72109408

M. W.

273.28566

CAS

Similarity

N/A

ID: 286447

2-(chlorosulfonyl)ethyl acetate

$$$$ Data

M. F.

C4H7ClO4S

Suppliers	Catalog Number
Enamine	EN300-99443

Database	Data ID
PubChem	13139000

M. W.

186.61398

CAS

Similarity

N/A

ID: 286448

tert-butyl 2-acetylpiperidine-1-carboxylate

$$$$ Data

M. F.

C12H21NO3

Suppliers	Catalog Number
Enamine	EN300-99445

Database	Data ID
PubChem	11790941

M. W.

227.30004

CAS

Similarity

N/A

ID: 286449

methyl 2-{[(5-chlorothiophen-2-yl)methyl]amino}acetate

$$$$ Data

M. F.

C8H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-99447

Database	Data ID
PubChem	28567166

M. W.

219.6885

CAS

Similarity

N/A

ID: 286450

1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C9H9ClN4

Suppliers	Catalog Number
Enamine	EN300-99451

Database	Data ID
PubChem	7019330

M. W.

208.64756

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