Chembase list of 866358 unique molecular structures

4-(difluoromethoxy)-2,6-difluorobenzoic acid

$$$$ Data

M. F.

C8H4F4O3

Suppliers	Catalog Number
Enamine	EN300-80875

Database	Data ID
PubChem	46311570

M. W.

224.1091728

CAS

Similarity

N/A

ID: 276852

1-(2,6-dichloro-4-nitrophenyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C10H5Cl2N3O4

Suppliers	Catalog Number
Enamine	EN300-80876

Database	Data ID
PubChem	43381224

M. W.

302.0704

CAS

Similarity

N/A

ID: 276853

1-(3,5-dimethylphenyl)-3-(furan-2-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C15H15N3O

Suppliers	Catalog Number
Enamine	EN300-80877

Database	Data ID
PubChem	16770114

M. W.

253.2991

CAS

Similarity

N/A

ID: 276854

4-amino-3-[3-(dimethylamino)phenyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

$$$$ Data

M. F.

C10H13N5S

Suppliers	Catalog Number
Enamine	EN300-80880

Database	Data ID
PubChem	43146800

M. W.

235.30872

CAS

Similarity

N/A

ID: 276855

3-(1,2,3,4-tetrahydroquinolin-4-yl)propanoic acid

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Enamine	EN300-80882

Database	Data ID
PubChem	19108463

M. W.

205.253

CAS

Similarity

N/A

ID: 276856

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

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Enamine	EN300-80883

Database	Data ID
PubChem	54594379

M. W.

219.27958

CAS

Similarity

N/A

ID: 276857

3-(1,2,3,4-tetrahydroquinolin-4-yl)propanamide

$$$$ Data

M. F.

C12H16N2O

Suppliers	Catalog Number
Enamine	EN300-80884

Database	Data ID
PubChem	54594380

M. W.

204.26824

CAS

Similarity

N/A

ID: 276858

N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-4-yl)propanamide

$$$$ Data

M. F.

C14H20N2O

Suppliers	Catalog Number
Enamine	EN300-80885

Database	Data ID
PubChem	54594381

M. W.

232.3214

CAS

Similarity

N/A

ID: 276859

N-methyl-3-(1,2,3,4-tetrahydroquinolin-4-yl)propanamide

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-80886

Database	Data ID
PubChem	54594382

M. W.

218.29482

CAS

Similarity

N/A

ID: 276860

N-ethyl-3-(1,2,3,4-tetrahydroquinolin-4-yl)propanamide

$$$$ Data

M. F.

C14H20N2O

Suppliers	Catalog Number
Enamine	EN300-80887

Database	Data ID
PubChem	54594383

M. W.

232.3214

CAS

Similarity

N/A

ID: 276861

1-(pyrrolidin-1-yl)-3-(1,2,3,4-tetrahydroquinolin-4-yl)propan-1-one

$$$$ Data

M. F.

C16H22N2O

Suppliers	Catalog Number
Enamine	EN300-80888

Database	Data ID
PubChem	54594384

M. W.

258.35868

CAS

Similarity

N/A

ID: 276862

3-bromoquinoline-8-carboxylic acid

$$$$ Data

M. F.

C10H6BrNO2

Suppliers	Catalog Number
Enamine	EN300-80890

Database	Data ID
PubChem	54594385

M. W.

252.06414

CAS

Similarity

N/A

ID: 276863

3-bromoquinoline-8-carboxamide

$$$$ Data

M. F.

C10H7BrN2O

Suppliers	Catalog Number
Enamine	EN300-80891

Database	Data ID
PubChem	54594386

M. W.

251.07938

CAS

Similarity

N/A

ID: 276864

3-bromo-N,N-dimethylquinoline-8-carboxamide

$$$$ Data

M. F.

C12H11BrN2O

Suppliers	Catalog Number
Enamine	EN300-80892

Database	Data ID
PubChem	54594387

M. W.

279.13254

CAS

Similarity

N/A

ID: 276865

3-acetamido-4-methylbenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C9H10ClNO3S

Suppliers	Catalog Number
Enamine	EN300-80893

Database	Data ID
PubChem	54594388

M. W.

247.6986

CAS

Similarity

N/A

ID: 276866

2-{methyl[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]amino}acetic acid

$$$$ Data

M. F.

C9H14F3NO3

Suppliers	Catalog Number
Enamine	EN300-80894

Database	Data ID
PubChem	54594389

M. W.

241.2075696

CAS

Similarity

N/A

ID: 276867

(2-aminoethyl)[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]amine

$$$$ Data

M. F.

C8H15F3N2O

Suppliers	Catalog Number
Enamine	EN300-80895

Database	Data ID
PubChem	54594390

M. W.

212.2127096

CAS

Similarity

N/A

ID: 276868

4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine

$$$$ Data

M. F.

C10H16F3NO2

Suppliers	Catalog Number
Enamine	EN300-80896

Database	Data ID
PubChem	54594391

M. W.

239.2347496

CAS

Similarity

N/A

ID: 276869

6-bromo-2-(chloromethyl)-3H-imidazo[4,5-b]pyridine hydrochloride

$$$$ Data

M. F.

C7H6BrCl2N3

Suppliers	Catalog Number
Enamine	EN300-80897

Database	Data ID
PubChem	54594392

M. W.

282.95264

CAS

Similarity

N/A

ID: 276870

2-(3-chloro-2-methylphenoxy)acetic acid

$$$$ Data

M. F.

C9H9ClO3

Suppliers	Catalog Number
Enamine	EN300-80898

Database	Data ID
PubChem	21515018

M. W.

200.61896

CAS

Similarity

N/A

ID: 276871

3-{[3-(dimethylamino)propyl]sulfamoyl}thiophene-2-carboxylic acid hydrochloride

$$$$ Data

M. F.

C10H17ClN2O4S2

Suppliers	Catalog Number
Enamine	EN300-80899

Database	Data ID
PubChem	53531418

M. W.

328.83598

CAS

Similarity

N/A

ID: 276872

2-ethyl-3-oxopiperazine-1-carbothioamide

$$$$ Data

M. F.

C7H13N3OS

Suppliers	Catalog Number
Enamine	EN300-80900

Database	Data ID
PubChem	54594394

M. W.

187.26262

CAS

Similarity

N/A

ID: 276873

phenyl(5-propyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride

$$$$ Data

M. F.

C12H16ClN3O

Suppliers	Catalog Number
Enamine	EN300-80901

Database	Data ID
PubChem	54594395

M. W.

253.72794

CAS

Similarity

N/A

ID: 276874

2-amino-4-fluoro-5-(4-methyl-1H-pyrazol-1-yl)benzoic acid hydrochloride

$$$$ Data

M. F.

C11H11ClFN3O2

Suppliers	Catalog Number
Enamine	EN300-80902

Database	Data ID
PubChem	54594396

M. W.

271.6753432

CAS

Similarity

N/A

ID: 276875

1-(4-aminophenoxy)-2-methylpropan-2-ol

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Enamine	EN300-80903

Database	Data ID
PubChem	54594398

M. W.

181.2316

CAS

Similarity

N/A

ID: 276876

3-(5-ethylfuran-2-yl)morpholine

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Enamine	EN300-80904

Database	Data ID
PubChem	54594399

M. W.

181.2316

CAS

Similarity

N/A

ID: 276877

2-(4-hydroxyphenyl)-N-(piperidin-4-yl)acetamide

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Enamine	EN300-80905

Database	Data ID
PubChem	43345745

M. W.

234.29422

CAS

Similarity

N/A

ID: 276878

2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine

$$$$ Data

M. F.

C11H17NO2

Suppliers	Catalog Number
Enamine	EN300-80906

Database	Data ID
PubChem	54594400

M. W.

195.25818

CAS

Similarity

N/A

ID: 276879

3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine

$$$$ Data

M. F.

C12H19NO2

Suppliers	Catalog Number
Enamine	EN300-80907

Database	Data ID
PubChem	54594401

M. W.

209.28476

CAS

Similarity

N/A

ID: 276880

methyl 3-bromo-5-(chlorosulfonyl)benzoate

$$$$ Data

M. F.

C8H6BrClO4S

Suppliers	Catalog Number
Enamine	EN300-80908

Database	Data ID
PubChem	43436770

M. W.

313.55284

CAS

Similarity

N/A

ID: 276881

2-(5-ethylfuran-2-yl)azepane

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Enamine	EN300-80909

Database	Data ID
PubChem	53621883

M. W.

193.28536

CAS

Similarity

N/A

ID: 276882

2-(5-methylfuran-2-yl)azepane

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Enamine	EN300-80910

Database	Data ID
PubChem	53619937

M. W.

179.25878

CAS

Similarity

N/A

ID: 276883

2-(2,5-dimethylfuran-3-yl)piperidine

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Enamine	EN300-80911

Database	Data ID
PubChem	54594402

M. W.

179.25878

CAS

Similarity

N/A

ID: 276884

4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)aniline

$$$$ Data

M. F.

C9H7F6NO

Suppliers	Catalog Number
Enamine	EN300-80912

Database	Data ID
PubChem	54594403

M. W.

259.1483992

CAS

Similarity

N/A

ID: 276885

3-(2,5-dimethylfuran-3-yl)morpholine

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Enamine	EN300-80913

Database	Data ID
PubChem	54594404

M. W.

181.2316

CAS

Similarity

N/A

ID: 276886

[1-(2-fluorophenyl)cyclopropyl]methanamine

$$$$ Data

M. F.

C10H12FN

Suppliers	Catalog Number
Enamine	EN300-80914
A&J Pharmtech	AJA-O24736

Database	Data ID
PubChem	24274293

M. W.

165.2073832

CAS

886365-63-5

Similarity

N/A

ID: 276887

2-(2,5-dimethylfuran-3-yl)pyrrolidine

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Enamine	EN300-80915

Database	Data ID
PubChem	54594405

M. W.

165.2322

CAS

Similarity

N/A

ID: 276888

3-(2,5-dimethylfuran-3-yl)-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C10H15NO3S

Suppliers	Catalog Number
Enamine	EN300-80916

Database	Data ID
PubChem	54594406

M. W.

229.296

CAS

Similarity

N/A

ID: 276889

3-(5-methylfuran-2-yl)-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C9H13NO3S

Suppliers	Catalog Number
Enamine	EN300-80917

Database	Data ID
PubChem	54594407

M. W.

215.26942

CAS

Similarity

N/A

ID: 276890

3-(5-ethylfuran-2-yl)-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C10H15NO3S

Suppliers	Catalog Number
Enamine	EN300-80918

Database	Data ID
PubChem	54594408

M. W.

229.296

CAS

Similarity

N/A

ID: 276891

7-ethyl-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C11H15N

Suppliers	Catalog Number
Enamine	EN300-80921

Database	Data ID
PubChem	24257338

M. W.

161.2435

CAS

Similarity

N/A

ID: 276892

4-(oxolan-3-ylmethoxy)aniline

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
Enamine	EN300-80922

Database	Data ID
PubChem	54594409

M. W.

193.2423

CAS

Similarity

N/A

ID: 276893

2-(2-bromophenyl)-2-(morpholin-4-yl)acetonitrile

$$$$ Data

M. F.

C12H13BrN2O

Suppliers	Catalog Number
Enamine	EN300-80923

Database	Data ID
PubChem	43802955

M. W.

281.14842

CAS

Similarity

N/A

ID: 276894

3-(6-methylpyridazin-3-yl)prop-2-yn-1-amine

$$$$ Data

M. F.

C8H9N3

Suppliers	Catalog Number
Enamine	EN300-80924

Database	Data ID
PubChem	54594410

M. W.

147.17716

CAS

Similarity

N/A

ID: 276895

3-(pyrazin-2-yl)prop-2-yn-1-amine

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Enamine	EN300-80927

Database	Data ID
PubChem	54594411

M. W.

133.15058

CAS

Similarity

N/A

ID: 276896

3-(8-methylquinolin-3-yl)prop-2-yn-1-amine

$$$$ Data

M. F.

C13H12N2

Suppliers	Catalog Number
Enamine	EN300-80928

Database	Data ID
PubChem	54594412

M. W.

196.24778

CAS

Similarity

N/A

ID: 276897

3-(8-fluoroquinolin-3-yl)prop-2-yn-1-amine

$$$$ Data

M. F.

C12H9FN2

Suppliers	Catalog Number
Enamine	EN300-80930

Database	Data ID
PubChem	54594413

M. W.

200.2116632

CAS

Similarity

N/A

ID: 276898

3-(4-methyl-1,3-thiazol-2-yl)prop-2-yn-1-amine

$$$$ Data

M. F.

C7H8N2S

Suppliers	Catalog Number
Enamine	EN300-80931

Database	Data ID
PubChem	54594414

M. W.

152.21682

CAS

Similarity

N/A

ID: 276899

methyl 3-(1,3-thiazol-2-yl)prop-2-ynoate

$$$$ Data

M. F.

C7H5NO2S

Suppliers	Catalog Number
Enamine	EN300-80932

Database	Data ID
PubChem	54594415

M. W.

167.1851

CAS

Similarity

N/A

ID: 276900

methyl 3-(4-methyl-1,3-thiazol-2-yl)prop-2-ynoate

$$$$ Data

M. F.

C8H7NO2S

Suppliers	Catalog Number
Enamine	EN300-80933

Database	Data ID
PubChem	54594416

M. W.

181.21168

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