Chembase list of 866358 unique molecular structures

2-(3-cyanophenoxy)-N-cyclopropylacetamide

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-60076

Database	Data ID
PubChem	4819050

M. W.

216.23588

CAS

Similarity

N/A

ID: 265852

2-(pyrazin-2-yloxy)benzonitrile

$$$$ Data

M. F.

C11H7N3O

Suppliers	Catalog Number
Enamine	EN300-60077

Database	Data ID
PubChem	47002532

M. W.

197.19278

CAS

Similarity

N/A

ID: 265853

6-amino-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

$$$$ Data

M. F.

C3H4N4O2

Suppliers	Catalog Number
Enamine	EN300-60078
A&J Pharmtech	AJA-O502

Database	Data ID
PubChem	87801

M. W.

128.08946

CAS

18802-38-5

Similarity

N/A

ID: 265854

(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine hydrochloride

$$$$ Data

M. F.

C9H11ClN4

Suppliers	Catalog Number
Enamine	EN300-60079

Database	Data ID
PubChem	47002533

M. W.

210.66344

CAS

Similarity

N/A

ID: 265855

5-(methylsulfanyl)pyridin-2-amine

$$$$ Data

M. F.

C6H8N2S

Suppliers	Catalog Number
Enamine	EN300-60080

Database	Data ID
PubChem	15179797

M. W.

140.20612

CAS

Similarity

N/A

ID: 265856

2-amino-N-(pyridin-3-ylmethyl)benzamide

$$$$ Data

M. F.

C13H13N3O

Suppliers	Catalog Number
ChemBridge	9071355
Enamine	EN300-60081

Database	Data ID
PubChem	2803192

M. W.

227.26182

CAS

1214-48-8

Similarity

N/A

ID: 265857

[4-(1H-1,3-benzodiazol-1-ylmethyl)phenyl]methanamine

$$$$ Data

M. F.

C15H15N3

Suppliers	Catalog Number
Enamine	EN300-60082

Database	Data ID
PubChem	16787554

M. W.

237.2997

CAS

Similarity

N/A

ID: 265858

(2,6-dichlorophenyl)methanethiol

$$$$ Data

M. F.

C7H6Cl2S

Suppliers	Catalog Number
Enamine	EN300-60083

Database	Data ID
PubChem	13914804

M. W.

193.09354

CAS

Similarity

N/A

ID: 265859

(4-bromo-2,6-dimethylphenyl)methanamine

$$$$ Data

M. F.

C9H12BrN

Suppliers	Catalog Number
Enamine	EN300-60084

Database	Data ID
PubChem	39872008

M. W.

214.10228

CAS

Similarity

N/A

ID: 265860

4-[(2-methoxyethyl)amino]benzonitrile

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Enamine	EN300-60086

Database	Data ID
PubChem	28411076

M. W.

176.21508

CAS

Similarity

N/A

ID: 265861

2-methyl-2-phenylpropan-1-ol

$$$$ Data

M. F.

C10H14O

Suppliers	Catalog Number
Enamine	EN300-60087

Database	Data ID
PubChem	219535

M. W.

150.21756

CAS

Similarity

N/A

ID: 265862

benzyl[1-(2-methoxyphenyl)propan-2-yl]amine

$$$$ Data

M. F.

C17H21NO

Suppliers	Catalog Number
Enamine	EN300-60088

Database	Data ID
PubChem	3065812

M. W.

255.35474

CAS

Similarity

N/A

ID: 265863

5-amino-3-[2-(dimethylamino)ethyl]-2,3-dihydro-1,3-benzoxazol-2-one

$$$$ Data

M. F.

C11H15N3O2

Suppliers	Catalog Number
Enamine	EN300-60089

Database	Data ID
PubChem	18914096

M. W.

221.2557

CAS

Similarity

N/A

ID: 265864

[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine

$$$$ Data

M. F.

C10H16N2O

Suppliers	Catalog Number
ChemBridge	4035981
Enamine	EN300-60090

Database	Data ID
PubChem	28399741

M. W.

180.24684

CAS

945983-90-4

Similarity

N/A

ID: 265865

1,2-bis(3-fluorophenyl)ethan-1-amine

$$$$ Data

M. F.

C14H13F2N

Suppliers	Catalog Number
Enamine	EN300-60091

Database	Data ID
PubChem	47002534

M. W.

233.2565264

CAS

Similarity

N/A

ID: 265866

1-amino-4-methylpentan-2-ol

$$$$ Data

M. F.

C6H15NO

Suppliers	Catalog Number
Enamine	EN300-60093

Database	Data ID
PubChem	18356484

M. W.

117.1894

CAS

Similarity

N/A

ID: 265867

2-(2H-1,3-benzodioxol-5-yl)propan-2-amine

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Enamine	EN300-60095

Database	Data ID
PubChem	20811520

M. W.

179.21572

CAS

Similarity

N/A

ID: 265868

1-chloro-2-(2-chloroethyl)benzene

$$$$ Data

M. F.

C8H8Cl2

Suppliers	Catalog Number
Enamine	EN300-60096

Database	Data ID
PubChem	12587535

M. W.

175.05512

CAS

Similarity

N/A

ID: 265869

1-(2,2-difluoroethyl)piperazine

$$$$ Data

M. F.

C6H12F2N2

Suppliers	Catalog Number
Enamine	EN300-60097

Database	Data ID
PubChem	19622797

M. W.

150.1696864

CAS

Similarity

N/A

ID: 265870

1-(2-hydroxyethyl)azepan-2-one

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Enamine	EN300-60098

Database	Data ID
PubChem	181752

M. W.

157.2102

CAS

Similarity

N/A

ID: 265871

2-(benzyloxy)acetonitrile

$$$$ Data

M. F.

C9H9NO

Suppliers	Catalog Number
Enamine	EN300-60099

Database	Data ID
PubChem	3398610

M. W.

147.17386

CAS

Similarity

N/A

ID: 265872

2-[(2-methoxyphenyl)methyl]pyrrolidine

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Enamine	EN300-60100

Database	Data ID
PubChem	5007454

M. W.

191.26948

CAS

Similarity

N/A

ID: 265873

1-cyclopropyl-1,4-diazepane

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
Enamine	EN300-60101

Database	Data ID
PubChem	20348476

M. W.

140.22604

CAS

Similarity

N/A

ID: 265874

4-(3,4-dihydro-1H-2-benzopyran-1-yl)aniline

$$$$ Data

M. F.

C15H15NO

Suppliers	Catalog Number
Enamine	EN300-60102

Database	Data ID
PubChem	12943544

M. W.

225.2857

CAS

Similarity

N/A

ID: 265875

6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

$$$$ Data

M. F.

C11H13F2NO

Suppliers	Catalog Number
Enamine	EN300-60105

Database	Data ID
PubChem	47002535

M. W.

213.2238264

CAS

Similarity

N/A

ID: 265876

1-cyclohexylpentan-3-amine hydrochloride

$$$$ Data

M. F.

C11H24ClN

Suppliers	Catalog Number
Enamine	EN300-60107

Database	Data ID
PubChem	47002536

M. W.

205.76796

CAS

Similarity

N/A

ID: 265877

[1-(benzenesulfonyl)piperidin-4-yl]methanamine hydrochloride

$$$$ Data

M. F.

C12H19ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-60110

Database	Data ID
PubChem	47002537

M. W.

290.80946

CAS

Similarity

N/A

ID: 265878

2-(thiomorpholin-4-ylmethyl)aniline

$$$$ Data

M. F.

C11H16N2S

Suppliers	Catalog Number
Enamine	EN300-60111

Database	Data ID
PubChem	28786619

M. W.

208.32314

CAS

Similarity

N/A

ID: 265879

2,6-difluoro-4-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H5ClF2O3S

Suppliers	Catalog Number
Enamine	EN300-60114

Database	Data ID
PubChem	54592549

M. W.

242.6276064

CAS

Similarity

N/A

ID: 265880

5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Enamine	EN300-60116

Database	Data ID
PubChem	47002539

M. W.

206.23776

CAS

Similarity

N/A

ID: 265881

5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

$$$$ Data

M. F.

C8H6N2O2S

Suppliers	Catalog Number
Enamine	EN300-60119

Database	Data ID
PubChem	24859007

M. W.

194.21044

CAS

Similarity

N/A

ID: 265882

3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷...

$$$$ Data

M. F.

C13H13ClN2S

Suppliers	Catalog Number
Enamine	EN300-60122

Database	Data ID
PubChem	858999

M. W.

264.77372

CAS

Similarity

N/A

ID: 265883

N-benzyl-N-ethylaminosulfonamide

$$$$ Data

M. F.

C9H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-60123

Database	Data ID
PubChem	43132034

M. W.

214.28466

CAS

Similarity

N/A

ID: 265884

3-chloro-5-(pyrazin-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷

$$$$ Data

M. F.

C14H11ClN4S

Suppliers	Catalog Number
Enamine	EN300-60124

Database	Data ID
PubChem	18460368

M. W.

302.78194

CAS

Similarity

N/A

ID: 265885

2-(piperidin-3-yl)-2-azaspiro[4.4]nonane-1,3-dione; oxalic acid

$$$$ Data

M. F.

C15H22N2O6

Suppliers	Catalog Number
Enamine	EN300-60128

Database	Data ID
PubChem	47002540

M. W.

326.34498

CAS

Similarity

N/A

ID: 265886

methyl 3-{[(tert-butoxy)carbonyl]amino}propanoate

$$$$ Data

M. F.

C9H17NO4

Suppliers	Catalog Number
Enamine	EN300-60129

Database	Data ID
PubChem	11687095

M. W.

203.23558

CAS

Similarity

N/A

ID: 265887

(1-bromopropyl)benzene

$$$$ Data

M. F.

C9H11Br

Suppliers	Catalog Number
Enamine	EN300-60130

Database	Data ID
PubChem	562384

M. W.

199.08764

CAS

Similarity

N/A

ID: 265888

1-phenylbut-3-yn-1-ol

$$$$ Data

M. F.

C10H10O

Suppliers	Catalog Number
Enamine	EN300-60131

Database	Data ID
PubChem	11019006

M. W.

146.1858

CAS

Similarity

N/A

ID: 265889

7-methyl-1-benzofuran-2-carboxylic acid

$$$$ Data

M. F.

C10H8O3

Suppliers	Catalog Number
ChemBridge	4041510
Enamine	EN300-60132

Database	Data ID
PubChem	20303968

M. W.

176.16872

CAS

17349-64-3

Similarity

N/A

ID: 265890

6-(3-nitrophenyl)-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C10H7N3O3

Suppliers	Catalog Number
Enamine	EN300-60133

Database	Data ID
PubChem	12196561

M. W.

217.18088

CAS

Similarity

N/A

ID: 265891

N-benzyl-N-ethylsulfamoyl chloride

$$$$ Data

M. F.

C9H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-60134

Database	Data ID
PubChem	43126078

M. W.

233.71508

CAS

Similarity

N/A

ID: 265892

(5-chloro-1-methyl-1H-imidazol-2-yl)methanol hydrochloride

$$$$ Data

M. F.

C5H8Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-60137

Database	Data ID
PubChem	47002541

M. W.

183.03582

CAS

Similarity

N/A

ID: 265893

2-(1-methyl-1H-imidazol-2-yl)-1-phenylethan-1-amine

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
Enamine	EN300-60138

Database	Data ID
PubChem	19969642

M. W.

201.2676

CAS

Similarity

N/A

ID: 265894

2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

$$$$ Data

M. F.

C13H11NOS

Suppliers	Catalog Number
Enamine	EN300-60139

Database	Data ID
PubChem	12755129

M. W.

229.29754

CAS

Similarity

N/A

ID: 265895

(1S)-1-(2-chloro-4-fluorophenyl)ethan-1-ol

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Enamine	EN300-60151

Database	Data ID
PubChem	40427220

M. W.

174.5999232

CAS

Similarity

N/A

ID: 265896

2-(2-aminoethyl)-1λ⁶,2-thiazolidine-1,1-dione hydrochloride

$$$$ Data

M. F.

C5H13ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-60164

Database	Data ID
PubChem	47002542

M. W.

200.68692

CAS

Similarity

N/A

ID: 265897

(E)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-hydroxybenzene-1-carboximidamide

$$$$ Data

M. F.

C13H16N4O

Suppliers	Catalog Number
Enamine	EN300-60165

Database	Data ID
PubChem	28211413

M. W.

244.29234

CAS

Similarity

N/A

ID: 265898

2-[(4-sulfamoylphenyl)sulfanyl]acetic acid

$$$$ Data

M. F.

C8H9NO4S2

Suppliers	Catalog Number
Enamine	EN300-60168

Database	Data ID
PubChem	43453735

M. W.

247.29136

CAS

Similarity

N/A

ID: 265899

1-(3-chlorophenyl)butane-1,3-dione

$$$$ Data

M. F.

C10H9ClO2

Suppliers	Catalog Number
Enamine	EN300-60169

Database	Data ID
PubChem	15256966

M. W.

196.63026

CAS

Similarity

N/A

ID: 265900

1-(1H-indazole-6-amido)cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C14H15N3O3

Suppliers	Catalog Number
Enamine	EN300-60170

Database	Data ID
PubChem	43172472

M. W.

273.2872

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