Chembase list of 866358 unique molecular structures

methyl 2,3-dihydro-1H-indole-3-carboxylate

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Enamine	EN300-69591

Database	Data ID
PubChem	45073772

M. W.

177.19984

CAS

Similarity

N/A

ID: 270602

2,3-dihydro-1H-indole-3-carboxamide

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Enamine	EN300-69592

Database	Data ID
PubChem	22936105

M. W.

162.1885

CAS

Similarity

N/A

ID: 270603

1-(oxan-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-69595

Database	Data ID
PubChem	43610286

M. W.

181.18854

CAS

Similarity

N/A

ID: 270604

2-(3-methyl-1-benzothiophen-2-yl)-2-oxoacetic acid

$$$$ Data

M. F.

C11H8O3S

Suppliers	Catalog Number
Enamine	EN300-69597

Database	Data ID
PubChem	50987696

M. W.

220.24442

CAS

Similarity

N/A

ID: 270605

1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethan-1-one

$$$$ Data

M. F.

C12H12O3

Suppliers	Catalog Number
Enamine	EN300-69598

Database	Data ID
PubChem	33785386

M. W.

204.22188

CAS

Similarity

N/A

ID: 270606

4-ethyl-N-[1-(4-fluorophenyl)ethyl]cyclohexan-1-amine

$$$$ Data

M. F.

C16H24FN

Suppliers	Catalog Number
Enamine	EN300-69599

Database	Data ID
PubChem	43079064

M. W.

249.3668632

CAS

Similarity

N/A

ID: 270607

2-(2-{[2-(dimethylamino)ethyl]amino}ethoxy)ethan-1-ol

$$$$ Data

M. F.

C8H20N2O2

Suppliers	Catalog Number
Enamine	EN300-69600

Database	Data ID
PubChem	50988953

M. W.

176.2566

CAS

Similarity

N/A

ID: 270608

tert-butyl N-[4-amino-3-(trifluoromethyl)phenyl]carbamate

$$$$ Data

M. F.

C12H15F3N2O2

Suppliers	Catalog Number
Enamine	EN300-69601

Database	Data ID
PubChem	24688551

M. W.

276.2549096

CAS

Similarity

N/A

ID: 270609

7-benzyl-2-propyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

$$$$ Data

M. F.

C17H21N3O

Suppliers	Catalog Number
Enamine	EN300-69602

Database	Data ID
PubChem	24934470

M. W.

283.36814

CAS

Similarity

N/A

ID: 270610

7-benzyl-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C15H17N3O

Suppliers	Catalog Number
Enamine	EN300-69603

Database	Data ID
PubChem	12307848

M. W.

255.31498

CAS

Similarity

N/A

ID: 270611

1-[(2-fluorophenyl)methyl]-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one

$$$$ Data

M. F.

C14H11FN2O

Suppliers	Catalog Number
Enamine	EN300-69604

Database	Data ID
PubChem	50989421

M. W.

242.2483432

CAS

Similarity

N/A

ID: 270612

4-(pyridin-4-ylmethoxy)aniline

$$$$ Data

M. F.

C12H12N2O

Suppliers	Catalog Number
Enamine	EN300-69606

Database	Data ID
PubChem	13688371

M. W.

200.23648

CAS

Similarity

N/A

ID: 270613

N-(3-aminocyclobutyl)methanesulfonamide hydrochloride

$$$$ Data

M. F.

C5H13ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-69607

Database	Data ID
PubChem	50988600

M. W.

200.68692

CAS

Similarity

N/A

ID: 270614

1-benzyl-2,2-dimethylpiperazine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Enamine	EN300-69608

Database	Data ID
PubChem	50987578

M. W.

204.3113

CAS

Similarity

N/A

ID: 270615

(4S)-3,4-dihydro-2H-1-benzopyran-4-ol

$$$$ Data

M. F.

C9H10O2

Suppliers	Catalog Number
Enamine	EN300-69614

Database	Data ID
PubChem	7058027

M. W.

150.1745

CAS

Similarity

N/A

ID: 270616

4-(4-bromophenyl)-1,3-dimethyl-1H-pyrazol-5-amine hydrochloride

$$$$ Data

M. F.

C11H13BrClN3

Suppliers	Catalog Number
Enamine	EN300-69616

Database	Data ID
PubChem	50988501

M. W.

302.59802

CAS

Similarity

N/A

ID: 270617

1H-1,2,3-triazole-4-carbohydrazide

$$$$ Data

M. F.

C3H5N5O

Suppliers	Catalog Number
Enamine	EN300-69617
A&J Pharmtech	AJA-O30299

Database	Data ID
PubChem	50989778

M. W.

127.1047

CAS

24650-17-7

Similarity

N/A

ID: 270618

methyl 4-methanesulfonylbenzoate

$$$$ Data

M. F.

C9H10O4S

Suppliers	Catalog Number
Enamine	EN300-69618
A&J Pharmtech	AJA-O56

Database	Data ID
PubChem	6432253

M. W.

214.2383

CAS

22821-70-1

Similarity

N/A

ID: 270619

3-bromo-4-(dimethylsulfamoyl)benzoic acid

$$$$ Data

M. F.

C9H10BrNO4S

Suppliers	Catalog Number
Enamine	EN300-69621

Database	Data ID
PubChem	28399652

M. W.

308.149

CAS

Similarity

N/A

ID: 270620

1,1-dioxo-1λ⁶,4-thiomorpholine-4-sulfonyl chloride

$$$$ Data

M. F.

C4H8ClNO4S2

Suppliers	Catalog Number
Enamine	EN300-69622

Database	Data ID
PubChem	43581407

M. W.

233.69362

CAS

Similarity

N/A

ID: 270621

2-[(2,4-dichlorophenyl)amino]propanoic acid

$$$$ Data

M. F.

C9H9Cl2NO2

Suppliers	Catalog Number
Enamine	EN300-69623

Database	Data ID
PubChem	13138171

M. W.

234.07926

CAS

Similarity

N/A

ID: 270622

2-(4-butylbenzamido)thiophene-3-carboxylic acid

$$$$ Data

M. F.

C16H17NO3S

Suppliers	Catalog Number
Enamine	EN300-69624

Database	Data ID
PubChem	43357482

M. W.

303.37608

CAS

Similarity

N/A

ID: 270623

3-[ethyl(methyl)carbamoyl]benzoic acid

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Enamine	EN300-69627

Database	Data ID
PubChem	43452960

M. W.

207.22582

CAS

Similarity

N/A

ID: 270624

propan-2-yl 2-aminoacetate hydrochloride

$$$$ Data

M. F.

C5H12ClNO2

Suppliers	Catalog Number
Alfa Aesar	H50249
Enamine	EN300-69629

Database	Data ID
PubChem	23033482

M. W.

153.60728

CAS

14019-62-6

Similarity

N/A

ID: 270625

2-methyl-1-(propylamino)propan-2-ol

$$$$ Data

M. F.

C7H17NO

Suppliers	Catalog Number
Enamine	EN300-69630

Database	Data ID
PubChem	39235030

M. W.

131.21598

CAS

Similarity

N/A

ID: 270626

4-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-amine

$$$$ Data

M. F.

C12H21N5

Suppliers	Catalog Number
Enamine	EN300-69631

Database	Data ID
PubChem	12840705

M. W.

235.32864

CAS

Similarity

N/A

ID: 270627

1,2,3,4-tetrahydronaphthalen-2-ol

$$$$ Data

M. F.

C10H12O

Suppliers	Catalog Number
Enamine	EN300-69633

Database	Data ID
PubChem	10747

M. W.

148.20168

CAS

Similarity

N/A

ID: 270628

3-amino-4-(methylsulfanyl)benzonitrile

$$$$ Data

M. F.

C8H8N2S

Suppliers	Catalog Number
Enamine	EN300-69634

Database	Data ID
PubChem	50989335

M. W.

164.22752

CAS

Similarity

N/A

ID: 270629

5-azido-2,3-dihydro-1H-indene

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
Enamine	EN300-69635

Database	Data ID
PubChem	43154604

M. W.

159.18786

CAS

Similarity

N/A

ID: 270630

tert-butyl N-methyl-N-(pyrrolidin-3-ylmethyl)carbamate

$$$$ Data

M. F.

C11H22N2O2

Suppliers	Catalog Number
Enamine	EN300-69636
A&J Pharmtech	AJA-O5187

Database	Data ID
PubChem	50988964

M. W.

214.30458

CAS

802983-66-0

Similarity

N/A

ID: 270631

N-[(2-chlorophenyl)methyl]cyclopentanamine

$$$$ Data

M. F.

C12H16ClN

Suppliers	Catalog Number
Enamine	EN300-69637

Database	Data ID
PubChem	3628779

M. W.

209.71514

CAS

Similarity

N/A

ID: 270632

(3-phenoxypropyl)hydrazine hydrochloride

$$$$ Data

M. F.

C9H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-69639

Database	Data ID
PubChem	20499367

M. W.

202.6812

CAS

Similarity

N/A

ID: 270633

(3-phenylpropyl)hydrazine hydrochloride

$$$$ Data

M. F.

C9H15ClN2

Suppliers	Catalog Number
Enamine	EN300-69640

Database	Data ID
PubChem	12483965

M. W.

186.6818

CAS

Similarity

N/A

ID: 270634

2-(dimethylamino)-3-methylbutanoic acid hydrobromide

$$$$ Data

M. F.

C7H16BrNO2

Suppliers	Catalog Number
Enamine	EN300-69641

Database	Data ID
PubChem	50987355

M. W.

226.11144

CAS

Similarity

N/A

ID: 270635

1-methyl-4-(piperazine-1-carbonyl)piperazine dihydrochloride

$$$$ Data

M. F.

C10H22Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-69642

Database	Data ID
PubChem	50988369

M. W.

285.21388

CAS

Similarity

N/A

ID: 270636

cyclobutyl(phenyl)methanamine

$$$$ Data

M. F.

C11H15N

Suppliers	Catalog Number
Enamine	EN300-69644

Database	Data ID
PubChem	12280945

M. W.

161.2435

CAS

Similarity

N/A

ID: 270637

3-[(oxolan-3-ylmethyl)amino]propanenitrile

$$$$ Data

M. F.

C8H14N2O

Suppliers	Catalog Number
Enamine	EN300-69645

Database	Data ID
PubChem	43207692

M. W.

154.20956

CAS

Similarity

N/A

ID: 270638

N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine

$$$$ Data

M. F.

C13H19FN2

Suppliers	Catalog Number
Enamine	EN300-69646

Database	Data ID
PubChem	781972

M. W.

222.3017632

CAS

Similarity

N/A

ID: 270639

cyclobutyl(4-fluorophenyl)methanamine

$$$$ Data

M. F.

C11H14FN

Suppliers	Catalog Number
Enamine	EN300-69647

Database	Data ID
PubChem	24689224

M. W.

179.2339632

CAS

Similarity

N/A

ID: 270640

(3-amino-1,1,1-trifluoropropan-2-yl)(benzyl)propylamine

$$$$ Data

M. F.

C13H19F3N2

Suppliers	Catalog Number
Enamine	EN300-69648

Database	Data ID
PubChem	43752750

M. W.

260.2985696

CAS

Similarity

N/A

ID: 270641

2-amino-2-phenyl-N-(1H-pyrazol-3-yl)acetamide dihydrochloride

$$$$ Data

M. F.

C11H14Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-69649

Database	Data ID
PubChem	50988393

M. W.

289.16106

CAS

Similarity

N/A

ID: 270642

ethyl 2-[2-(2-phenylacetamido)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C15H16N2O3S

Suppliers	Catalog Number
Enamine	EN300-69650

Database	Data ID
PubChem	702939

M. W.

304.36414

CAS

Similarity

N/A

ID: 270643

2-(piperidin-4-yloxy)acetamide

$$$$ Data

M. F.

C7H14N2O2

Suppliers	Catalog Number
Alfa Aesar	H50928
Enamine	EN300-69651

Database	Data ID
PubChem	42553403

M. W.

158.19826

CAS

912761-65-0

Similarity

N/A

ID: 270644

1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one

$$$$ Data

M. F.

C11H21N3O2

Suppliers	Catalog Number
Enamine	EN300-69652

Database	Data ID
PubChem	16769381

M. W.

227.30334

CAS

Similarity

N/A

ID: 270645

[1-(methylamino)cyclohexyl]methanol hydrochloride

$$$$ Data

M. F.

C8H18ClNO

Suppliers	Catalog Number
Enamine	EN300-69654

Database	Data ID
PubChem	50988519

M. W.

179.68762

CAS

Similarity

N/A

ID: 270646

N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide

$$$$ Data

M. F.

C12H11NO2S

Suppliers	Catalog Number
Enamine	EN300-69657

Database	Data ID
PubChem	28739515

M. W.

233.28624

CAS

Similarity

N/A

ID: 270647

N-(3-hydroxyphenyl)thiophene-3-carboxamide

$$$$ Data

M. F.

C11H9NO2S

Suppliers	Catalog Number
Enamine	EN300-69658

Database	Data ID
PubChem	28739686

M. W.

219.25966

CAS

Similarity

N/A

ID: 270648

5-(2-aminoethyl)-4-methyl-4H-1,2,4-triazole-3-thiol hydrochloride

$$$$ Data

M. F.

C5H11ClN4S

Suppliers	Catalog Number
Enamine	EN300-69659

Database	Data ID
PubChem	50988492

M. W.

194.68564

CAS

Similarity

N/A

ID: 270649

2-[(4-methyl-1,3-thiazol-2-yl)amino]ethan-1-ol

$$$$ Data

M. F.

C6H10N2OS

Suppliers	Catalog Number
Enamine	EN300-69661

Database	Data ID
PubChem	29046248

M. W.

158.2214

CAS

Similarity

N/A

ID: 270650

N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)quinolin-3-amine

$$$$ Data

M. F.

C13H13N3S

Suppliers	Catalog Number
Enamine	EN300-69662

Database	Data ID
PubChem	50987798

M. W.

243.32742

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