Chembase list of 866358 unique molecular structures

1-(4-aminopiperidin-1-yl)-3-methylbutan-1-one hydrochloride

$$$$ Data

M. F.

C10H21ClN2O

Suppliers	Catalog Number
Alfa Aesar	H51684
Enamine	EN300-56511

Database	Data ID
PubChem	17221646

M. W.

220.73954

CAS

Similarity

N/A

ID: 264652

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

$$$$ Data

M. F.

C15H16FNO

Suppliers	Catalog Number
Enamine	EN300-56515

Database	Data ID
PubChem	19073186

M. W.

245.2920432

CAS

Similarity

N/A

ID: 264653

2-(benzyloxy)benzene-1-carboximidamide hydrochloride

$$$$ Data

M. F.

C14H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-56516

Database	Data ID
PubChem	47002254

M. W.

262.7347

CAS

Similarity

N/A

ID: 264654

1-(2,4-dimethoxyphenyl)-2-hydroxyethan-1-one

$$$$ Data

M. F.

C10H12O4

Suppliers	Catalog Number
Enamine	EN300-56517

Database	Data ID
PubChem	22036269

M. W.

196.19988

CAS

Similarity

N/A

ID: 264655

1-phenyl-1H-pyrazol-4-amine

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
Enamine	EN300-56518
A&J Pharmtech	AJA-O39953

Database	Data ID
PubChem	121021

M. W.

159.18786

CAS

1128-53-6

Similarity

N/A

ID: 264656

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1H-pyrazol-4-amine dihydrochloride

$$$$ Data

M. F.

C14H21Cl2N3O2

Suppliers	Catalog Number
Enamine	EN300-56519

Database	Data ID
PubChem	47002255

M. W.

334.24144

CAS

Similarity

N/A

ID: 264657

2-methyl-4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C11H12ClNO3S

Suppliers	Catalog Number
Enamine	EN300-56521

Database	Data ID
PubChem	16642639

M. W.

273.73588

CAS

Similarity

N/A

ID: 264658

5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine

$$$$ Data

M. F.

C9H6F2N4

Suppliers	Catalog Number
Enamine	EN300-56523

Database	Data ID
PubChem	43134505

M. W.

208.1675464

CAS

Similarity

N/A

ID: 264659

1-tert-butyl-1H-1,3-benzodiazol-2-amine

$$$$ Data

M. F.

C11H15N3

Suppliers	Catalog Number
Enamine	EN300-56524

Database	Data ID
PubChem	15034538

M. W.

189.2569

CAS

Similarity

N/A

ID: 264660

6-bromo-2-ethyl-1,4-dihydroquinolin-4-one

$$$$ Data

M. F.

C11H10BrNO

Suppliers	Catalog Number
Enamine	EN300-56525

Database	Data ID
PubChem	43668359

M. W.

252.1072

CAS

Similarity

N/A

ID: 264661

[2-hydroxy-3-(4-nitrophenoxy)propyl](methyl)amine

$$$$ Data

M. F.

C10H14N2O4

Suppliers	Catalog Number
Enamine	EN300-56526

Database	Data ID
PubChem	15072479

M. W.

226.22916

CAS

Similarity

N/A

ID: 264662

ethyl 2-amino-5-methanesulfonylbenzoate

$$$$ Data

M. F.

C10H13NO4S

Suppliers	Catalog Number
Enamine	EN300-56527

Database	Data ID
PubChem	47002256

M. W.

243.27952

CAS

Similarity

N/A

ID: 264663

2-(1H-indazol-5-ylformamido)propanoic acid

$$$$ Data

M. F.

C11H11N3O3

Suppliers	Catalog Number
Enamine	EN300-56528

Database	Data ID
PubChem	43355254

M. W.

233.22334

CAS

Similarity

N/A

ID: 264664

2-(3-fluorophenyl)-1-(piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C12H15FN2O

Suppliers	Catalog Number
Enamine	EN300-56529

Database	Data ID
PubChem	16768955

M. W.

222.2587032

CAS

Similarity

N/A

ID: 264665

ethyl 3-(2-ethoxyphenyl)-3-oxopropanoate

$$$$ Data

M. F.

C13H16O4

Suppliers	Catalog Number
Enamine	EN300-56530

Database	Data ID
PubChem	20293752

M. W.

236.26374

CAS

Similarity

N/A

ID: 264666

2-(piperidin-1-yl)pyridine-3-carboximidamide dihydrochloride

$$$$ Data

M. F.

C11H18Cl2N4

Suppliers	Catalog Number
Enamine	EN300-56532

Database	Data ID
PubChem	47002257

M. W.

277.19342

CAS

Similarity

N/A

ID: 264667

1-bromo-3-fluoro-5-isocyanatobenzene

$$$$ Data

M. F.

C7H3BrFNO

Suppliers	Catalog Number
Enamine	EN300-56533

Database	Data ID
PubChem	43248413

M. W.

216.0072232

CAS

Similarity

N/A

ID: 264668

3-phenyl-1-(piperazin-1-yl)propan-1-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-56535

Database	Data ID
PubChem	16769614

M. W.

218.29482

CAS

Similarity

N/A

ID: 264669

2-(3-methoxyphenyl)-1-(piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Enamine	EN300-56536

Database	Data ID
PubChem	16769171

M. W.

234.29422

CAS

Similarity

N/A

ID: 264670

3-(3-fluorophenyl)-2-methylpropanoic acid

$$$$ Data

M. F.

C10H11FO2

Suppliers	Catalog Number
Enamine	EN300-56537

Database	Data ID
PubChem	21955847

M. W.

182.1915432

CAS

Similarity

N/A

ID: 264671

3-(4-fluorophenyl)-2-methylpropanoic acid

$$$$ Data

M. F.

C10H11FO2

Suppliers	Catalog Number
Enamine	EN300-56538

Database	Data ID
PubChem	15487791

M. W.

182.1915432

CAS

Similarity

N/A

ID: 264672

2-(2-fluorophenyl)-1-(piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C12H15FN2O

Suppliers	Catalog Number
Enamine	EN300-56539

Database	Data ID
PubChem	16782497

M. W.

222.2587032

CAS

Similarity

N/A

ID: 264673

2-(3-methylbutoxy)propanoic acid

$$$$ Data

M. F.

C8H16O3

Suppliers	Catalog Number
Enamine	EN300-56540

Database	Data ID
PubChem	24697559

M. W.

160.21084

CAS

Similarity

N/A

ID: 264674

4-methyl-4-phenylpentan-2-amine

$$$$ Data

M. F.

C12H19N

Suppliers	Catalog Number
ChemBridge	4033613
Enamine	EN300-56541

Database	Data ID
PubChem	13290299

M. W.

177.28596

CAS

24854-91-9

Similarity

N/A

ID: 264675

2-(3-chlorophenyl)-2,2-difluoroacetic acid

$$$$ Data

M. F.

C8H5ClF2O2

Suppliers	Catalog Number
Enamine	EN300-56542

Database	Data ID
PubChem	28740327

M. W.

206.5739064

CAS

Similarity

N/A

ID: 264676

2-(2-methoxyphenyl)-1-(piperazin-1-yl)ethan-1-one hydrochloride

$$$$ Data

M. F.

C13H19ClN2O2

Suppliers	Catalog Number
Enamine	EN300-56544

Database	Data ID
PubChem	47002258

M. W.

270.75516

CAS

Similarity

N/A

ID: 264677

1-methyl-N-[3-(methylsulfanyl)phenyl]piperidin-4-amine

$$$$ Data

M. F.

C13H20N2S

Suppliers	Catalog Number
Enamine	EN300-56546

Database	Data ID
PubChem	868540

M. W.

236.3763

CAS

Similarity

N/A

ID: 264678

5-(4-bromophenyl)-1,2,4-triazine-3-thiol

$$$$ Data

M. F.

C9H6BrN3S

Suppliers	Catalog Number
Enamine	EN300-56548

Database	Data ID
PubChem	47002259

M. W.

268.13304

CAS

Similarity

N/A

ID: 264679

4-(4-ethylpiperazin-1-yl)-3-fluorobenzonitrile

$$$$ Data

M. F.

C13H16FN3

Suppliers	Catalog Number
Enamine	EN300-56549

Database	Data ID
PubChem	43657239

M. W.

233.2846432

CAS

Similarity

N/A

ID: 264680

3-{[2-(4-methoxyphenyl)-2-oxoethyl]carbamoyl}propanoic acid

$$$$ Data

M. F.

C13H15NO5

Suppliers	Catalog Number
Enamine	EN300-56550

Database	Data ID
PubChem	21818911

M. W.

265.2619

CAS

Similarity

N/A

ID: 264681

(2-phenyl-1,3-oxazol-4-yl)methanol

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Enamine	EN300-56551
A&J Pharmtech	AJA-O29910

Database	Data ID
PubChem	15555156

M. W.

175.18396

CAS

59398-98-0

Similarity

N/A

ID: 264682

1-cyclopropyl-2-sulfanyl-1,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C7H8N2OS

Suppliers	Catalog Number
Enamine	EN300-56553

Database	Data ID
PubChem	47002260

M. W.

168.21622

CAS

Similarity

N/A

ID: 264683

methyl 4-(2,6-dichloro-3-fluorophenyl)-2,4-dioxobutanoate

$$$$ Data

M. F.

C11H7Cl2FO4

Suppliers	Catalog Number
Enamine	EN300-56555

Database	Data ID
PubChem	43119014

M. W.

293.0752832

CAS

Similarity

N/A

ID: 264684

1-[(2,5-dimethylthiophen-3-yl)sulfonyl]piperazine hydrochloride

$$$$ Data

M. F.

C10H17ClN2O2S2

Suppliers	Catalog Number
Enamine	EN300-56557

Database	Data ID
PubChem	47002261

M. W.

296.83718

CAS

Similarity

N/A

ID: 264685

ethyl 4-(2,5-dichlorophenyl)-2,4-dioxobutanoate

$$$$ Data

M. F.

C12H10Cl2O4

Suppliers	Catalog Number
Enamine	EN300-56558

Database	Data ID
PubChem	43186892

M. W.

289.1114

CAS

Similarity

N/A

ID: 264686

ethyl 4-(2,6-dichloro-3-fluorophenyl)-2,4-dioxobutanoate

$$$$ Data

M. F.

C12H9Cl2FO4

Suppliers	Catalog Number
Enamine	EN300-56559

Database	Data ID
PubChem	43104782

M. W.

307.1018632

CAS

Similarity

N/A

ID: 264687

2-(4-bromo-3-methylphenyl)-1λ⁶,2-thiazolidine-1,1-dione

$$$$ Data

M. F.

C10H12BrNO2S

Suppliers	Catalog Number
Enamine	EN300-56560

Database	Data ID
PubChem	24698022

M. W.

290.17678

CAS

Similarity

N/A

ID: 264688

4-(tert-butylcarbamoyl)benzoic acid

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Enamine	EN300-56561

Database	Data ID
PubChem	43452670

M. W.

221.2524

CAS

Similarity

N/A

ID: 264689

2-(2-cyclopropyl-1H-1,3-benzodiazol-1-yl)acetic acid hydrochloride

$$$$ Data

M. F.

C12H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-56562

Database	Data ID
PubChem	47002262

M. W.

252.69682

CAS

Similarity

N/A

ID: 264690

5-benzoyl-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C14H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-56563

Database	Data ID
PubChem	47002263

M. W.

258.70294

CAS

Similarity

N/A

ID: 264691

6-bromo-4-(piperazin-1-yl)quinazoline

$$$$ Data

M. F.

C12H13BrN4

Suppliers	Catalog Number
Enamine	EN300-56564

Database	Data ID
PubChem	7137844

M. W.

293.16242

CAS

Similarity

N/A

ID: 264692

(3-methoxypropyl)(methyl)amine

$$$$ Data

M. F.

C5H13NO

Suppliers	Catalog Number
ChemBridge	4021520
Enamine	EN300-56565

Database	Data ID
PubChem	12545984

M. W.

103.16282

CAS

55612-03-8

Similarity

N/A

ID: 264693

ethyl 2,4-dioxo-4-(2,4,6-trimethylphenyl)butanoate

$$$$ Data

M. F.

C15H18O4

Suppliers	Catalog Number
Enamine	EN300-56566

Database	Data ID
PubChem	14945000

M. W.

262.30102

CAS

Similarity

N/A

ID: 264694

{1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}methanamine

$$$$ Data

M. F.

C12H15F3N2O

Suppliers	Catalog Number
Enamine	EN300-56568

Database	Data ID
PubChem	24697349

M. W.

260.2555096

CAS

Similarity

N/A

ID: 264695

3-(cyclohexylmethoxy)benzaldehyde

$$$$ Data

M. F.

C14H18O2

Suppliers	Catalog Number
Enamine	EN300-56569

Database	Data ID
PubChem	28369623

M. W.

218.29152

CAS

Similarity

N/A

ID: 264696

2-(oxolan-2-ylmethoxy)propanoic acid

$$$$ Data

M. F.

C8H14O4

Suppliers	Catalog Number
Enamine	EN300-56570

Database	Data ID
PubChem	24692206

M. W.

174.19436

CAS

Similarity

N/A

ID: 264697

4-[2-(trifluoromethyl)phenoxy]aniline

$$$$ Data

M. F.

C13H10F3NO

Suppliers	Catalog Number
Enamine	EN300-56571

Database	Data ID
PubChem	22310818

M. W.

253.2198096

CAS

Similarity

N/A

ID: 264698

4-(thiomorpholine-4-sulfonyl)-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C9H12N2O4S2

Suppliers	Catalog Number
Enamine	EN300-56572

Database	Data ID
PubChem	28786816

M. W.

276.33258

CAS

Similarity

N/A

ID: 264699

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

$$$$ Data

M. F.

C7H16N2

Suppliers	Catalog Number
Enamine	EN300-56574

Database	Data ID
PubChem	16244563

M. W.

128.21534

CAS

Similarity

N/A

ID: 264700

2,2,2-trifluoroethyl N-(butan-2-yl)carbamate

$$$$ Data

M. F.

C7H12F3NO2

Suppliers	Catalog Number
Enamine	EN300-56575

Database	Data ID
PubChem	47002264

M. W.

199.1708896

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