Chembase list of 866358 unique molecular structures

2-methyl-6-(1H-pyrrol-1-ylmethyl)pyridine

$$$$ Data

M. F.

C11H12N2

Suppliers	Catalog Number
Enamine	EN300-106320

Database	Data ID
PubChem	62307894

M. W.

172.22638

CAS

Similarity

N/A

ID: 237652

6,7,8,9-tetrahydrospiro[-benzo[7]annulene-5,3'-piperidine]

$$$$ Data

M. F.

C15H21N

Suppliers	Catalog Number
Enamine	EN300-106321

Database	Data ID
PubChem	64222777

M. W.

215.33394

CAS

Similarity

N/A

ID: 237653

(2-methoxy-4-methylphenyl)methanamine

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Enamine	EN300-106322

Database	Data ID
PubChem	58607466

M. W.

151.20562

CAS

Similarity

N/A

ID: 237654

methyl 1-cyano-3-methylcyclobutane-1-carboxylate

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
Enamine	EN300-106323

Database	Data ID
PubChem	64232823

M. W.

153.17844

CAS

Similarity

N/A

ID: 237655

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

$$$$ Data

M. F.

C5H3F3N2O

Suppliers	Catalog Number
Enamine	EN300-106325
Bide Pharmatech	BD208921

Database	Data ID
PubChem	33698298

M. W.

164.0853296

CAS

174607-36-4

Similarity

N/A

ID: 237656

2-methylcyclopropane-1-carbaldehyde

$$$$ Data

M. F.

C5H8O

Suppliers	Catalog Number
Enamine	EN300-106327

Database	Data ID
PubChem	13379958

M. W.

84.11642

CAS

Similarity

N/A

ID: 237657

{8-[(tert-butyldimethylsilyl)oxy]quinolin-7-yl}boronic acid

$$$$ Data

M. F.

C15H22BNO3Si

Suppliers	Catalog Number
Enamine	EN300-106329

Database	Data ID
PubChem	71755975

M. W.

303.23658

CAS

Similarity

N/A

ID: 237658

5-oxo-1-(pyridin-2-yl)pyrrolidine-3-carboxylic acid hydrochloride

$$$$ Data

M. F.

C10H11ClN2O3

Suppliers	Catalog Number
Enamine	EN300-106330

Database	Data ID
PubChem	71755976

M. W.

242.65894

CAS

Similarity

N/A

ID: 237659

1-(5-bromo-3-chloro-2-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C8H6BrClO2

Suppliers	Catalog Number
Enamine	EN300-106332

Database	Data ID
PubChem	24211939

M. W.

249.48904

CAS

Similarity

N/A

ID: 237660

4-(2-fluorophenyl)piperazine-1-carboxamide

$$$$ Data

M. F.

C11H14FN3O

Suppliers	Catalog Number
Enamine	EN300-106335

Database	Data ID
PubChem	60703044

M. W.

223.2467632

CAS

Similarity

N/A

ID: 237661

5-bromo-2-methoxy-N-(pyridin-4-ylmethyl)aniline

$$$$ Data

M. F.

C13H13BrN2O

Suppliers	Catalog Number
Enamine	EN300-106336

Database	Data ID
PubChem	61059315

M. W.

293.15912

CAS

Similarity

N/A

ID: 237662

2-(3-nitro-1H-pyrazol-1-yl)cyclohexan-1-one

$$$$ Data

M. F.

C9H11N3O3

Suppliers	Catalog Number
Enamine	EN300-106344

Database	Data ID
PubChem	71755977

M. W.

209.20194

CAS

Similarity

N/A

ID: 237663

ethyl 2-(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)acetate

$$$$ Data

M. F.

C13H16N2O2

Suppliers	Catalog Number
Enamine	EN300-106347

Database	Data ID
PubChem	14221153

M. W.

232.27834

CAS

Similarity

N/A

ID: 237664

5-(2,6-dichlorophenoxymethyl)-1,2-oxazole-3-carboxylic acid

$$$$ Data

M. F.

C11H7Cl2NO4

Suppliers	Catalog Number
Enamine	EN300-106348

Database	Data ID
PubChem	61397461

M. W.

288.08358

CAS

Similarity

N/A

ID: 237665

2-cyano-4-(trifluoromethyl)benzoic acid

$$$$ Data

M. F.

C9H4F3NO2

Suppliers	Catalog Number
Enamine	EN300-106349

Database	Data ID
PubChem	71755978

M. W.

215.1287696

CAS

Similarity

N/A

ID: 237666

1-methylcyclohexane-1-carbonitrile

$$$$ Data

M. F.

C8H13N

Suppliers	Catalog Number
Enamine	EN300-106350

Database	Data ID
PubChem	12859572

M. W.

123.19552

CAS

Similarity

N/A

ID: 237667

5-amino-6-(dimethylamino)-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C6H10N4O

Suppliers	Catalog Number
Enamine	EN300-106352

Database	Data ID
PubChem	19137009

M. W.

154.1698

CAS

Similarity

N/A

ID: 237668

(1-methylcyclohexyl)methanamine hydrochloride

$$$$ Data

M. F.

C8H18ClN

Suppliers	Catalog Number
Enamine	EN300-106353

Database	Data ID
PubChem	71755979

M. W.

163.68822

CAS

Similarity

N/A

ID: 237669

2-amino-N-benzyl-2-phenylacetamide

$$$$ Data

M. F.

C15H16N2O

Suppliers	Catalog Number
Enamine	EN300-106354

Database	Data ID
PubChem	13328815

M. W.

240.30034

CAS

Similarity

N/A

ID: 237670

(3-chlorophenyl)(3-fluorophenyl)methanamine

$$$$ Data

M. F.

C13H11ClFN

Suppliers	Catalog Number
Enamine	EN300-106355

Database	Data ID
PubChem	60818087

M. W.

235.6845432

CAS

Similarity

N/A

ID: 237671

(3-bromophenyl)(3-fluorophenyl)methanone

$$$$ Data

M. F.

C13H8BrFO

Suppliers	Catalog Number
Enamine	EN300-106356

Database	Data ID
PubChem	19780750

M. W.

279.1044232

CAS

Similarity

N/A

ID: 237672

3-fluoro-4-methoxy-N-methylaniline

$$$$ Data

M. F.

C8H10FNO

Suppliers	Catalog Number
Enamine	EN300-106358

Database	Data ID
PubChem	21307269

M. W.

155.1695032

CAS

Similarity

N/A

ID: 237673

4-[3-chloro-4-(1-hydroxyethyl)phenyl]-1-methylpiperazin-2-one

$$$$ Data

M. F.

C13H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-106359

Database	Data ID
PubChem	64695121

M. W.

268.73928

CAS

Similarity

N/A

ID: 237674

1-(4-butylphenyl)-2-chloroethan-1-one

$$$$ Data

M. F.

C12H15ClO

Suppliers	Catalog Number
Enamine	EN300-10636

Database	Data ID
PubChem	595098

M. W.

210.6999

CAS

Similarity

N/A

ID: 237675

methyl 2-(3-oxo-2,3-dihydro-1-benzofuran-2-yl)acetate

$$$$ Data

M. F.

C11H10O4

Suppliers	Catalog Number
Enamine	EN300-106360

Database	Data ID
PubChem	15210898

M. W.

206.1947

CAS

Similarity

N/A

ID: 237676

methyl 2-[3-(hydroxyimino)-2,3-dihydro-1-benzofuran-2-yl]acetate

$$$$ Data

M. F.

C11H11NO4

Suppliers	Catalog Number
Enamine	EN300-106362

Database	Data ID
PubChem	71755980

M. W.

221.20934

CAS

Similarity

N/A

ID: 237677

methyl 2-(3-amino-2,3-dihydro-1-benzofuran-2-yl)acetate

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Enamine	EN300-106363

Database	Data ID
PubChem	71755981

M. W.

207.22582

CAS

Similarity

N/A

ID: 237678

2-{[(1R)-1-phenylethyl]amino}acetamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-106364

Database	Data ID
PubChem	25110859

M. W.

178.23096

CAS

Similarity

N/A

ID: 237679

N-hydroxy-2-(trifluoromethyl)benzamide

$$$$ Data

M. F.

C8H6F3NO2

Suppliers	Catalog Number
Enamine	EN300-106366

Database	Data ID
PubChem	3264193

M. W.

205.1339496

CAS

Similarity

N/A

ID: 237680

5-(3-chloropropyl)-4-methyl-1,3-thiazole

$$$$ Data

M. F.

C7H10ClNS

Suppliers	Catalog Number
Enamine	EN300-106367

Database	Data ID
PubChem	71667

M. W.

175.679

CAS

Similarity

N/A

ID: 237681

5-(3-bromopropyl)-4-methyl-1,3-thiazole

$$$$ Data

M. F.

C7H10BrNS

Suppliers	Catalog Number
Enamine	EN300-106368

Database	Data ID
PubChem	71755982

M. W.

220.13

CAS

Similarity

N/A

ID: 237682

methyl 1-benzoxepine-4-carboxylate

$$$$ Data

M. F.

C12H10O3

Suppliers	Catalog Number
Enamine	EN300-106369

Database	Data ID
PubChem	826861

M. W.

202.206

CAS

Similarity

N/A

ID: 237683

2-[4-(trifluoromethoxy)benzenesulfonamido]acetic acid

$$$$ Data

M. F.

C9H8F3NO5S

Suppliers	Catalog Number
Enamine	EN300-10637

Database	Data ID
PubChem	2473183

M. W.

299.2237296

CAS

Similarity

N/A

ID: 237684

1-(furan-2-yl)-2-(pyrrolidin-2-yl)ethan-1-ol

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Enamine	EN300-106370

Database	Data ID
PubChem	71755983

M. W.

181.2316

CAS

Similarity

N/A

ID: 237685

3-amino-1-phenylbutan-1-one hydrochloride

$$$$ Data

M. F.

C10H14ClNO

Suppliers	Catalog Number
Enamine	EN300-106371

Database	Data ID
PubChem	71755984

M. W.

199.67726

CAS

Similarity

N/A

ID: 237686

1-benzoxepin-4-ylmethanamine

$$$$ Data

M. F.

C11H11NO

Suppliers	Catalog Number
Enamine	EN300-106373

Database	Data ID
PubChem	71755985

M. W.

173.21114

CAS

Similarity

N/A

ID: 237687

2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid

$$$$ Data

M. F.

C15H24N2O4

Suppliers	Catalog Number
Enamine	EN300-10638

Database	Data ID
PubChem	3521777

M. W.

296.36206

CAS

Similarity

N/A

ID: 237688

methyl 2-(4-oxo-2,3,4,5,6,7-hexahydro-1-benzofuran-2-yl)acetate

$$$$ Data

M. F.

C11H14O4

Suppliers	Catalog Number
Enamine	EN300-106383

Database	Data ID
PubChem	56589759

M. W.

210.22646

CAS

Similarity

N/A

ID: 237689

methyl 2-(4-amino-2,3,4,5,6,7-hexahydro-1-benzofuran-2-yl)acetate

$$$$ Data

M. F.

C11H17NO3

Suppliers	Catalog Number
Enamine	EN300-106385

Database	Data ID
PubChem	71755986

M. W.

211.25758

CAS

Similarity

N/A

ID: 237690

methyl 2-(4-amino-octahydro-1-benzofuran-2-yl)acetate

$$$$ Data

M. F.

C11H19NO3

Suppliers	Catalog Number
Enamine	EN300-106386

Database	Data ID
PubChem	71755987

M. W.

213.27346

CAS

Similarity

N/A

ID: 237691

propan-2-yl 2-[(4-methoxyphenyl)methoxy]acetate

$$$$ Data

M. F.

C13H18O4

Suppliers	Catalog Number
Enamine	EN300-106389

Database	Data ID
PubChem	54949115

M. W.

238.27962

CAS

Similarity

N/A

ID: 237692

4-[3-(dimethylamino)phenoxy]benzonitrile

$$$$ Data

M. F.

C15H14N2O

Suppliers	Catalog Number
Enamine	EN300-106391

Database	Data ID
PubChem	61229478

M. W.

238.28446

CAS

Similarity

N/A

ID: 237693

methyl[2-(oxan-4-yl)ethyl]amine

$$$$ Data

M. F.

C8H17NO

Suppliers	Catalog Number
ChemBridge	4010744
Enamine	EN300-106392

Database	Data ID
PubChem	20719713

M. W.

143.22668

CAS

Similarity

N/A

ID: 237694

oxan-4-ylhydrazine hydrochloride

$$$$ Data

M. F.

C5H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-106393
Bide Pharmatech	BD49340
A&J Pharmtech	AJA-O10032 AJA-O9563

Database	Data ID
PubChem	17773358

M. W.

152.62252

CAS

1187974-47-5

Similarity

N/A

ID: 237695

[5-(trifluoromethyl)pyridin-3-yl]methanol

$$$$ Data

M. F.

C7H6F3NO

Suppliers	Catalog Number
Enamine	EN300-106394

Database	Data ID
PubChem	14761463

M. W.

177.1238496

CAS

Similarity

N/A

ID: 237696

2-chloro-4-(1H-pyrazol-1-yl)pyridine

$$$$ Data

M. F.

C8H6ClN3

Suppliers	Catalog Number
Enamine	EN300-106395

Database	Data ID
PubChem	63778646

M. W.

179.60634

CAS

Similarity

N/A

ID: 237697

1-N,2-dimethylbenzene-1,4-diamine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
Enamine	EN300-106396

Database	Data ID
PubChem	20272719

M. W.

136.19428

CAS

Similarity

N/A

ID: 237698

methyl 2-methyl-3-oxo-4-phenylbutanoate

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Enamine	EN300-106397

Database	Data ID
PubChem	12442578

M. W.

206.23776

CAS

Similarity

N/A

ID: 237699

3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine

$$$$ Data

M. F.

C5H8ClN3S

Suppliers	Catalog Number
Enamine	EN300-106398

Database	Data ID
PubChem	18984635

M. W.

177.65512

CAS

Similarity

N/A

ID: 237700

{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)amine

$$$$ Data

M. F.

C7H13N3O2

Suppliers	Catalog Number
ChemBridge	4012064
Enamine	EN300-106399

Database	Data ID
PubChem	28063754

M. W.

171.19702

CAS

1177347-58-8

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