Chembase list of 866358 unique molecular structures

4-[(dimethylamino)methyl]benzene-1-carboximidamide

$$$$ Data

M. F.

C10H15N3

Suppliers	Catalog Number
Enamine	EN300-97949

Database	Data ID
PubChem	11423893

M. W.

177.2462

CAS

Similarity

N/A

ID: 285902

4-[(dimethylamino)methyl]benzene-1-carboximidamide dihydrochloride

$$$$ Data

M. F.

C10H17Cl2N3

Suppliers	Catalog Number
Enamine	EN300-97950

Database	Data ID
PubChem	12329255

M. W.

250.16808

CAS

Similarity

N/A

ID: 285903

4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1λ⁶,4-thio...

$$$$ Data

M. F.

C17H26BNO4S

Suppliers	Catalog Number
Enamine	EN300-97961

Database	Data ID
PubChem	59392782

M. W.

351.26864

CAS

Similarity

N/A

ID: 285904

3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride

$$$$ Data

M. F.

C6H9ClF3N

Suppliers	Catalog Number
Enamine	EN300-97962

Database	Data ID
PubChem	73994784

M. W.

187.5905696

CAS

Similarity

N/A

ID: 285905

4-(methylsulfanyl)-1H-pyrazol-3-amine

$$$$ Data

M. F.

C4H7N3S

Suppliers	Catalog Number
Enamine	EN300-97966

Database	Data ID
PubChem	71685615

M. W.

129.18348

CAS

Similarity

N/A

ID: 285906

4-(methylsulfanyl)-1H-pyrazol-3-amine hydrochloride

$$$$ Data

M. F.

C4H8ClN3S

Suppliers	Catalog Number
Enamine	EN300-97967

Database	Data ID
PubChem	73994785

M. W.

165.64442

CAS

Similarity

N/A

ID: 285907

2-{[(5-chlorothiophen-2-yl)methyl]amino}acetic acid hydrochloride

$$$$ Data

M. F.

C7H9Cl2NO2S

Suppliers	Catalog Number
Enamine	EN300-97968

Database	Data ID
PubChem	72155650

M. W.

242.12286

CAS

Similarity

N/A

ID: 285908

3-[(1-benzylpiperidin-4-yl)oxy]propanenitrile

$$$$ Data

M. F.

C15H20N2O

Suppliers	Catalog Number
Enamine	EN300-97971

Database	Data ID
PubChem	2794599

M. W.

244.3321

CAS

Similarity

N/A

ID: 285909

2-(chloromethyl)-5-(3-fluorophenyl)-1,3-oxazole

$$$$ Data

M. F.

C10H7ClFNO

Suppliers	Catalog Number
Enamine	EN300-97973

Database	Data ID
PubChem	43144173

M. W.

211.6200832

CAS

Similarity

N/A

ID: 285910

3-cyclopentyl-3-ethoxypropan-1-amine

$$$$ Data

M. F.

C10H21NO

Suppliers	Catalog Number
Enamine	EN300-97975

Database	Data ID
PubChem	72125032

M. W.

171.27984

CAS

Similarity

N/A

ID: 285911

1-(2-fluorophenyl)-2,2-dimethylpropan-1-one

$$$$ Data

M. F.

C11H13FO

Suppliers	Catalog Number
Enamine	EN300-97976

Database	Data ID
PubChem	12160021

M. W.

180.2187232

CAS

Similarity

N/A

ID: 285912

[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methyl](methyl)amine

$$$$ Data

M. F.

C10H18N2

Suppliers	Catalog Number
Enamine	EN300-97978

Database	Data ID
PubChem	50850558

M. W.

166.26332

CAS

Similarity

N/A

ID: 285913

N-[4-({[2-(pyridin-3-yl)ethyl]amino}methyl)phenyl]acetamide

$$$$ Data

M. F.

C16H19N3O

Suppliers	Catalog Number
Enamine	EN300-97980

Database	Data ID
PubChem	47186016

M. W.

269.34156

CAS

Similarity

N/A

ID: 285914

2-methylhex-5-yn-3-ol

$$$$ Data

M. F.

C7H12O

Suppliers	Catalog Number
Enamine	EN300-97981

Database	Data ID
PubChem	11018827

M. W.

112.16958

CAS

Similarity

N/A

ID: 285915

(2S)-3-methyl-2-{[(propan-2-yloxy)carbonyl]amino}butanoic acid

$$$$ Data

M. F.

C9H17NO4

Suppliers	Catalog Number
Enamine	EN300-97982

Database	Data ID
PubChem	11063514

M. W.

203.23558

CAS

Similarity

N/A

ID: 285916

7-methyloctanoic acid

$$$$ Data

M. F.

C9H18O2

Suppliers	Catalog Number
Enamine	EN300-97984

Database	Data ID
PubChem	33635

M. W.

158.23802

CAS

Similarity

N/A

ID: 285917

3-bromo-1-(oxan-4-yl)pyrrolidin-2-one

$$$$ Data

M. F.

C9H14BrNO2

Suppliers	Catalog Number
Enamine	EN300-97985

Database	Data ID
PubChem	63788054

M. W.

248.11696

CAS

Similarity

N/A

ID: 285918

1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-one

$$$$ Data

M. F.

C9H5F5O

Suppliers	Catalog Number
Enamine	EN300-97986

Database	Data ID
PubChem	43159837

M. W.

224.127416

CAS

Similarity

N/A

ID: 285919

3,5-dimethyl-1,3,4,7-tetraazatricyclo[7.4.0.0²,⁶]trideca-2...

$$$$ Data

M. F.

C11H18N4

Suppliers	Catalog Number
Enamine	EN300-97988

Database	Data ID
PubChem	73994786

M. W.

206.28742

CAS

Similarity

N/A

ID: 285920

4-(benzyloxy)-2-chloropyridine

$$$$ Data

M. F.

C12H10ClNO

Suppliers	Catalog Number
Enamine	EN300-97989

Database	Data ID
PubChem	53404197

M. W.

219.6669

CAS

Similarity

N/A

ID: 285921

3-methylcyclobutan-1-amine hydrochloride

$$$$ Data

M. F.

C5H12ClN

Suppliers	Catalog Number
Enamine	EN300-97990
Bide Pharmatech	BD252888

Database	Data ID
PubChem	53308463

M. W.

121.60848

CAS

89381-07-7

Similarity

N/A

ID: 285922

7-chloro-4-methyl-1,2,3,4-tetrahydroquinoxalin-2-one

$$$$ Data

M. F.

C9H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-97991

Database	Data ID
PubChem	71721369

M. W.

196.63356

CAS

Similarity

N/A

ID: 285923

4-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}phenol

$$$$ Data

M. F.

C12H14N2O3

Suppliers	Catalog Number
Enamine	EN300-97993

Database	Data ID
PubChem	54959885

M. W.

234.25116

CAS

Similarity

N/A

ID: 285924

4-(4-fluorophenyl)-1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C15H13FN4

Suppliers	Catalog Number
Enamine	EN300-97994

Database	Data ID
PubChem	33783485

M. W.

268.2889232

CAS

Similarity

N/A

ID: 285925

N-{[(4-chlorophenyl)carbamothioyl]amino}-2-phenylacetamide

$$$$ Data

M. F.

C15H14ClN3OS

Suppliers	Catalog Number
Enamine	EN300-97995

Database	Data ID
PubChem	848934

M. W.

319.80916

CAS

Similarity

N/A

ID: 285926

1-(2-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C7H9NO3

Suppliers	Catalog Number
Enamine	EN300-97997

Database	Data ID
PubChem	12858661

M. W.

155.15126

CAS

Similarity

N/A

ID: 285927

tert-butyl N-[3-(N'-hydroxycarbamimidoyl)phenyl]carbamate

$$$$ Data

M. F.

C12H17N3O3

Suppliers	Catalog Number
Enamine	EN300-97999

Database	Data ID
PubChem	19756854

M. W.

251.28168

CAS

Similarity

N/A

ID: 285928

N-[(3-bromophenyl)methyl]methanesulfonamide

$$$$ Data

M. F.

C8H10BrNO2S

Suppliers	Catalog Number
Enamine	EN300-98001

Database	Data ID
PubChem	6464358

M. W.

264.1395

CAS

Similarity

N/A

ID: 285929

5-bromo-N'-hydroxyfuran-2-carboximidamide

$$$$ Data

M. F.

C5H5BrN2O2

Suppliers	Catalog Number
Enamine	EN300-98013

Database	Data ID
PubChem	43140212

M. W.

205.0094

CAS

Similarity

N/A

ID: 285930

4-fluoro-1-N,3-N-dimethyl-6-nitrobenzene-1,3-diamine

$$$$ Data

M. F.

C8H10FN3O2

Suppliers	Catalog Number
Enamine	EN300-98015

Database	Data ID
PubChem	73994787

M. W.

199.1823032

CAS

Similarity

N/A

ID: 285931

6,8-dimethyl-1,2,3,4-tetrahydroquinoline hydrochloride

$$$$ Data

M. F.

C11H16ClN

Suppliers	Catalog Number
Enamine	EN300-98016

Database	Data ID
PubChem	72157864

M. W.

197.70444

CAS

Similarity

N/A

ID: 285932

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)benzoic acid

$$$$ Data

M. F.

C12H11N3O2

Suppliers	Catalog Number
Enamine	EN300-98017

Database	Data ID
PubChem	62926021

M. W.

229.23464

CAS

Similarity

N/A

ID: 285933

1-acetyl-3-methylpyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C8H13NO3

Suppliers	Catalog Number
Enamine	EN300-98018

Database	Data ID
PubChem	63142868

M. W.

171.19372

CAS

Similarity

N/A

ID: 285934

[4-(4-methoxyphenyl)thiophen-2-yl]methanamine

$$$$ Data

M. F.

C12H13NOS

Suppliers	Catalog Number
Enamine	EN300-98019

Database	Data ID
PubChem	64311449

M. W.

219.30272

CAS

Similarity

N/A

ID: 285935

5-iodo-2-methylphenol

$$$$ Data

M. F.

C7H7IO

Suppliers	Catalog Number
Enamine	EN300-98020

Database	Data ID
PubChem	11436235

M. W.

234.03435

CAS

Similarity

N/A

ID: 285936

[5-(4-methoxyphenyl)thiophen-2-yl]methanamine

$$$$ Data

M. F.

C12H13NOS

Suppliers	Catalog Number
Enamine	EN300-98021

Database	Data ID
PubChem	64311639

M. W.

219.30272

CAS

Similarity

N/A

ID: 285937

N-(3-aminopropyl)-1-chloromethanesulfonamide hydrochloride

$$$$ Data

M. F.

C4H12Cl2N2O2S

Suppliers	Catalog Number
Enamine	EN300-98022

Database	Data ID
PubChem	73994788

M. W.

223.12128

CAS

Similarity

N/A

ID: 285938

[2-(cyclohexyloxy)phenyl]boronic acid

$$$$ Data

M. F.

C12H17BO3

Suppliers	Catalog Number
Enamine	EN300-98023
Bide Pharmatech	BD231490

Database	Data ID
PubChem	43145292

M. W.

220.07258

CAS

1313760-77-8

Similarity

N/A

ID: 285939

2-chloro-4,5-difluoroaniline

$$$$ Data

M. F.

C6H4ClF2N

Suppliers	Catalog Number
Alfa Aesar	H32239
Enamine	EN300-98025

Database	Data ID
PubChem	20111727

M. W.

163.5524664

CAS

2613-32-3

Similarity

N/A

ID: 285940

5-chloropyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C5H3ClN2O2

Suppliers	Catalog Number
Enamine	EN300-98026

Database	Data ID
PubChem	20029396

M. W.

158.54252

CAS

Similarity

N/A

ID: 285941

2-(3,5-diphenyl-1H-pyrazol-1-yl)ethan-1-ol

$$$$ Data

M. F.

C17H16N2O

Suppliers	Catalog Number
Enamine	EN300-98027

Database	Data ID
PubChem	128748

M. W.

264.32174

CAS

Similarity

N/A

ID: 285942

2-(2,5-dimethylthiophen-3-yl)acetic acid

$$$$ Data

M. F.

C8H10O2S

Suppliers	Catalog Number
Enamine	EN300-98028

Database	Data ID
PubChem	14249921

M. W.

170.2288

CAS

Similarity

N/A

ID: 285943

N-(2-aminoethyl)-6-chloropyridazine-3-carboxamide hydrochloride

$$$$ Data

M. F.

C7H10Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-98029

Database	Data ID
PubChem	73994789

M. W.

237.0865

CAS

Similarity

N/A

ID: 285944

1-[2-(trimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylic acid

$$$$ Data

M. F.

C14H21N3O3

Suppliers	Catalog Number
Enamine	EN300-98030

Database	Data ID
PubChem	43170461

M. W.

279.33484

CAS

Similarity

N/A

ID: 285945

1-ethenyl-4-ethylbenzene

$$$$ Data

M. F.

C10H12

Suppliers	Catalog Number
Enamine	EN300-98031

Database	Data ID
PubChem	18940

M. W.

132.20228

CAS

Similarity

N/A

ID: 285946

ethyl 2-methyl-5-oxocyclopentane-1-carboxylate

$$$$ Data

M. F.

C9H14O3

Suppliers	Catalog Number
Enamine	EN300-98035

Database	Data ID
PubChem	560131

M. W.

170.20566

CAS

Similarity

N/A

ID: 285947

3-(aminomethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride

$$$$ Data

M. F.

C3H7ClN4O

Suppliers	Catalog Number
Enamine	EN300-98038
A&J Pharmtech	AJA-O30123

Database	Data ID
PubChem	53408094

M. W.

150.56688

CAS

367250-06-4

Similarity

N/A

ID: 285948

5-(3-aminopropyl)-4H-1,2,4-triazol-3-amine hydrochloride

$$$$ Data

M. F.

C5H12ClN5

Suppliers	Catalog Number
Enamine	EN300-98039

Database	Data ID
PubChem	72152598

M. W.

177.63528

CAS

Similarity

N/A

ID: 285949

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

$$$$ Data

M. F.

C9H11N

Suppliers	Catalog Number
Enamine	EN300-98047
Bide Pharmatech	BD29357
A&J Pharmtech	AJA-O2287

Database	Data ID
PubChem	14023679

M. W.

133.19034

CAS

65826-95-1

Similarity

N/A

ID: 285950

7-fluoro-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C8H8FN

Suppliers	Catalog Number
Enamine	EN300-98048

Database	Data ID
PubChem	16768261

M. W.

137.1542232

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