Chembase list of 866358 unique molecular structures

(1R)-1-(pyridin-2-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C7H12Cl2N2

Suppliers	Catalog Number
Enamine	EN300-105999

Database	Data ID
PubChem	56973375

M. W.

195.08958

CAS

Similarity

N/A

ID: 237502

(2E)-3-(2-methoxyquinolin-3-yl)prop-2-enoic acid

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Enamine	EN300-10600

Database	Data ID
PubChem	2451322

M. W.

229.23134

CAS

Similarity

N/A

ID: 237503

2-ethylcyclopentan-1-amine

$$$$ Data

M. F.

C7H15N

Suppliers	Catalog Number
Enamine	EN300-106000

Database	Data ID
PubChem	13247957

M. W.

113.2007

CAS

Similarity

N/A

ID: 237504

(2S)-2-(dimethylamino)-3-methylbutanoic acid

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Enamine	EN300-106003

Database	Data ID
PubChem	11008044

M. W.

145.1995

CAS

Similarity

N/A

ID: 237505

2-[(propan-2-yloxy)methyl]aniline

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Enamine	EN300-106007

Database	Data ID
PubChem	18069831

M. W.

165.2322

CAS

Similarity

N/A

ID: 237506

[6-(2,3-dichlorophenoxy)pyridin-3-yl]methanamine

$$$$ Data

M. F.

C12H10Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-106008

Database	Data ID
PubChem	43528682

M. W.

269.1266

CAS

Similarity

N/A

ID: 237507

2-(1-benzyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C12H17Cl2N3

Suppliers	Catalog Number
Enamine	EN300-106009

Database	Data ID
PubChem	71755946

M. W.

274.18948

CAS

Similarity

N/A

ID: 237508

potassium 2-[(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C8H11KN2O2S

Suppliers	Catalog Number
Enamine	EN300-10601

Database	Data ID
PubChem	23678893

M. W.

238.34844

CAS

Similarity

N/A

ID: 237509

(3-chlorophenyl)(3-fluorophenyl)methanone

$$$$ Data

M. F.

C13H8ClFO

Suppliers	Catalog Number
Enamine	EN300-106011

Database	Data ID
PubChem	20642710

M. W.

234.6534232

CAS

Similarity

N/A

ID: 237510

(3R,4S)-3,4-bis(trifluoromethyl)pyrrolidine hydrochloride

$$$$ Data

M. F.

C6H8ClF6N

Suppliers	Catalog Number
Enamine	EN300-106012

Database	Data ID
PubChem	71732487

M. W.

243.5778392

CAS

Similarity

N/A

ID: 237511

methyl 2-[(4-hydroxyphenyl)sulfanyl]acetate

$$$$ Data

M. F.

C9H10O3S

Suppliers	Catalog Number
Enamine	EN300-106017

Database	Data ID
PubChem	19356435

M. W.

198.2389

CAS

Similarity

N/A

ID: 237512

hexane-1,2-diamine

$$$$ Data

M. F.

C6H16N2

Suppliers	Catalog Number
Enamine	EN300-106018

Database	Data ID
PubChem	10362464

M. W.

116.20464

CAS

Similarity

N/A

ID: 237513

2-cyclopropyl-1H-imidazole-4-carboxylic acid hydrochloride

$$$$ Data

M. F.

C7H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-106019

Database	Data ID
PubChem	71755947

M. W.

188.61156

CAS

Similarity

N/A

ID: 237514

1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine

$$$$ Data

M. F.

C10H16N2S

Suppliers	Catalog Number
Enamine	EN300-10602

Database	Data ID
PubChem	5019947

M. W.

196.31244

CAS

17386-15-1

Similarity

N/A

ID: 237515

2-cyclopropyl-1H-imidazole-4-carboxamide

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Enamine	EN300-106022

Database	Data ID
PubChem	71755948

M. W.

151.16586

CAS

Similarity

N/A

ID: 237516

5-(aminomethyl)-1,2-oxazole-3-carboxamide

$$$$ Data

M. F.

C5H7N3O2

Suppliers	Catalog Number
Enamine	EN300-106023

Database	Data ID
PubChem	21866463

M. W.

141.12798

CAS

Similarity

N/A

ID: 237517

2-(2-methylpropyl)piperidine hydrochloride

$$$$ Data

M. F.

C9H20ClN

Suppliers	Catalog Number
Enamine	EN300-106025

Database	Data ID
PubChem	17389625

M. W.

177.7148

CAS

Similarity

N/A

ID: 237518

5-(aminomethyl)-2,3-dihydro-1λ⁶-benzothiophene-1,1-dione hydrochlori...

$$$$ Data

M. F.

C9H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-106026

Database	Data ID
PubChem	71755949

M. W.

233.71508

CAS

Similarity

N/A

ID: 237519

3,3-dimethyl-2,3-dihydro-1H-indole hydrochloride

$$$$ Data

M. F.

C10H14ClN

Suppliers	Catalog Number
Enamine	EN300-106027

Database	Data ID
PubChem	67424594

M. W.

183.67786

CAS

Similarity

N/A

ID: 237520

(3-bromophenyl)(3-fluorophenyl)methanol

$$$$ Data

M. F.

C13H10BrFO

Suppliers	Catalog Number
Enamine	EN300-106028

Database	Data ID
PubChem	60798418

M. W.

281.1203032

CAS

Similarity

N/A

ID: 237521

2-[(4-benzyl-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C14H15N3O2S

Suppliers	Catalog Number
Enamine	EN300-10603

Database	Data ID
PubChem	5020010

M. W.

289.3528

CAS

Similarity

N/A

ID: 237522

5-(difluoromethoxy)-1H-indole

$$$$ Data

M. F.

C9H7F2NO

Suppliers	Catalog Number
Enamine	EN300-106030

Database	Data ID
PubChem	66737958

M. W.

183.1547864

CAS

Similarity

N/A

ID: 237523

tert-butyl N-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]carbamate

$$$$ Data

M. F.

C12H17N3O2

Suppliers	Catalog Number
Enamine	EN300-106035

Database	Data ID
PubChem	71755950

M. W.

235.28228

CAS

Similarity

N/A

ID: 237524

(2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C6H8F3NO2

Suppliers	Catalog Number
Enamine	EN300-106037

Database	Data ID
PubChem	71422311

M. W.

183.1284296

CAS

Similarity

N/A

ID: 237525

N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazol-2-amine

$$$$ Data

M. F.

C13H16N2OS

Suppliers	Catalog Number
Enamine	EN300-106039

Database	Data ID
PubChem	956447

M. W.

248.34394

CAS

Similarity

N/A

ID: 237526

3-(3-methylpyridin-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C14H11N3OS

Suppliers	Catalog Number
Enamine	EN300-10604

Database	Data ID
PubChem	4848549

M. W.

269.32164

CAS

Similarity

N/A

ID: 237527

methyl 3-methoxybutanoate

$$$$ Data

M. F.

C6H12O3

Suppliers	Catalog Number
Enamine	EN300-106040

Database	Data ID
PubChem	11228821

M. W.

132.15768

CAS

Similarity

N/A

ID: 237528

[methyl(propyl)sulfamoyl]amine

$$$$ Data

M. F.

C4H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-106048

Database	Data ID
PubChem	43271536

M. W.

152.21528

CAS

Similarity

N/A

ID: 237529

2-(1-chloroethyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C10H7Cl3N2O

Suppliers	Catalog Number
Enamine	EN300-106049

Database	Data ID
PubChem	43419717

M. W.

277.53438

CAS

Similarity

N/A

ID: 237530

3-(4-methylpyridin-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C14H11N3OS

Suppliers	Catalog Number
Enamine	EN300-10605

Database	Data ID
PubChem	2561769

M. W.

269.32164

CAS

Similarity

N/A

ID: 237531

2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C10H7Cl3N2O

Suppliers	Catalog Number
Enamine	EN300-106050

Database	Data ID
PubChem	43513133

M. W.

277.53438

CAS

Similarity

N/A

ID: 237532

3-(pyridin-4-yl)but-2-enoic acid

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Enamine	EN300-106051

Database	Data ID
PubChem	28791508

M. W.

163.17326

CAS

Similarity

N/A

ID: 237533

3-(pyridin-3-yl)but-2-enoic acid

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Enamine	EN300-106052

Database	Data ID
PubChem	14444182

M. W.

163.17326

CAS

Similarity

N/A

ID: 237534

1-(3-chlorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

$$$$ Data

M. F.

C12H8ClNO3

Suppliers	Catalog Number
Enamine	EN300-106053

Database	Data ID
PubChem	61726027

M. W.

249.64982

CAS

Similarity

N/A

ID: 237535

2-[(acetylsulfanyl)methyl]butanedioic acid

$$$$ Data

M. F.

C7H10O5S

Suppliers	Catalog Number
Enamine	EN300-106054

Database	Data ID
PubChem	15307653

M. W.

206.2163

CAS

Similarity

N/A

ID: 237536

1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]oxazine

$$$$ Data

M. F.

C7H11N3O

Suppliers	Catalog Number
Enamine	EN300-106055

Database	Data ID
PubChem	71755951

M. W.

153.18174

CAS

Similarity

N/A

ID: 237537

2-(3,4-dimethoxyphenyl)-2-methylpropanoic acid

$$$$ Data

M. F.

C12H16O4

Suppliers	Catalog Number
Enamine	EN300-106056

Database	Data ID
PubChem	12259713

M. W.

224.25304

CAS

Similarity

N/A

ID: 237538

2-(acetylsulfanyl)-2-phenylacetic acid

$$$$ Data

M. F.

C10H10O3S

Suppliers	Catalog Number
Enamine	EN300-106057

Database	Data ID
PubChem	9942523

M. W.

210.2496

CAS

Similarity

N/A

ID: 237539

1-chloro-5-methylhexan-2-one

$$$$ Data

M. F.

C7H13ClO

Suppliers	Catalog Number
Enamine	EN300-106059

Database	Data ID
PubChem	19091938

M. W.

148.63052

CAS

Similarity

N/A

ID: 237540

8-chloro-1-(chloromethyl)-4-(4-ethoxyphenyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazo...

$$$$ Data

M. F.

C18H14Cl2N4O2

Suppliers	Catalog Number
Enamine	EN300-10606

Database	Data ID
PubChem	3415758

M. W.

389.23536

CAS

Similarity

N/A

ID: 237541

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

$$$$ Data

M. F.

C9H12ClN3

Suppliers	Catalog Number
Enamine	EN300-106060

Database	Data ID
PubChem	23369525

M. W.

197.66468

CAS

Similarity

N/A

ID: 237542

4-[3-(dimethylamino)phenoxy]benzene-1-carbothioamide

$$$$ Data

M. F.

C15H16N2OS

Suppliers	Catalog Number
Enamine	EN300-106068

Database	Data ID
PubChem	61229842

M. W.

272.36534

CAS

Similarity

N/A

ID: 237543

[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol

$$$$ Data

M. F.

C9H7ClN2O2

Suppliers	Catalog Number
Enamine	EN300-106069

Database	Data ID
PubChem	53420896

M. W.

210.61708

CAS

Similarity

N/A

ID: 237544

3-(6-methylheptan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C16H22N2OS

Suppliers	Catalog Number
Enamine	EN300-10607

Database	Data ID
PubChem	3415759

M. W.

290.42368

CAS

Similarity

N/A

ID: 237545

2-(2-ethoxyethanesulfonamido)acetic acid

$$$$ Data

M. F.

C6H13NO5S

Suppliers	Catalog Number
Enamine	EN300-106070

Database	Data ID
PubChem	63245950

M. W.

211.23612

CAS

Similarity

N/A

ID: 237546

tert-butyl N-[1-(N'-hydroxycarbamimidoyl)propan-2-yl]-N-methylcarbamate

$$$$ Data

M. F.

C10H21N3O3

Suppliers	Catalog Number
Enamine	EN300-106072

Database	Data ID
PubChem	63223943

M. W.

231.29204

CAS

Similarity

N/A

ID: 237547

4-chloro-6-methylpyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Enamine	EN300-106073
Bide Pharmatech	BD225792
A&J Pharmtech	AJA-O38049

Database	Data ID
PubChem	45789733

M. W.

171.58104

CAS

1060805-95-9

Similarity

N/A

ID: 237548

1-phenylpropane-1-thiol

$$$$ Data

M. F.

C9H12S

Suppliers	Catalog Number
Enamine	EN300-106074

Database	Data ID
PubChem	9920430

M. W.

152.25658

CAS

Similarity

N/A

ID: 237549

3-chloro-5,6-diethylpyridazine-4-carbonitrile

$$$$ Data

M. F.

C9H10ClN3

Suppliers	Catalog Number
Enamine	EN300-106075

Database	Data ID
PubChem	71755952

M. W.

195.6488

CAS

Similarity

N/A

ID: 237550

2-bromo-3-[(1,3-thiazol-2-yl)imino]propanal

$$$$ Data

M. F.

C6H5BrN2OS

Suppliers	Catalog Number
Enamine	EN300-106076

Database	Data ID
PubChem	71755953

M. W.

233.0857

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