Chembase list of 866358 unique molecular structures

1-[(3-methylphenyl)methyl]piperidin-4-amine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Enamine	EN300-41901

Database	Data ID
PubChem	12641835

M. W.

204.3113

CAS

Similarity

N/A

ID: 258702

(6-chloropyridin-3-yl)methanesulfonyl chloride

$$$$ Data

M. F.

C6H5Cl2NO2S

Suppliers	Catalog Number
Enamine	EN300-41903
A&J Pharmtech	AJA-O38175

Database	Data ID
PubChem	43455424

M. W.

226.0804

CAS

683813-60-7

Similarity

N/A

ID: 258703

tert-butyl 4-[(chlorosulfonyl)(methyl)amino]piperidine-1-carboxylate

$$$$ Data

M. F.

C11H21ClN2O4S

Suppliers	Catalog Number
Enamine	EN300-41904

Database	Data ID
PubChem	43810798

M. W.

312.81344

CAS

Similarity

N/A

ID: 258704

2-chloro-4-fluoro-1-isocyanatobenzene

$$$$ Data

M. F.

C7H3ClFNO

Suppliers	Catalog Number
Enamine	EN300-41905

Database	Data ID
PubChem	12150394

M. W.

171.5562232

CAS

Similarity

N/A

ID: 258705

ethyl 4-cyclopropyl-2,4-dioxobutanoate

$$$$ Data

M. F.

C9H12O4

Suppliers	Catalog Number
Enamine	EN300-41906

Database	Data ID
PubChem	16779961

M. W.

184.18918

CAS

Similarity

N/A

ID: 258706

[6-(2-methoxyethoxy)pyridin-3-yl]methanamine

$$$$ Data

M. F.

C9H14N2O2

Suppliers	Catalog Number
Enamine	EN300-41907

Database	Data ID
PubChem	20113673

M. W.

182.21966

CAS

Similarity

N/A

ID: 258707

methyl[(4-nitrophenyl)methyl]amine

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Enamine	EN300-41911

Database	Data ID
PubChem	409440

M. W.

166.1772

CAS

Similarity

N/A

ID: 258708

methyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate

$$$$ Data

M. F.

C5H8N4O2

Suppliers	Catalog Number
ChemBridge	4044653
Enamine	EN300-41921

Database	Data ID
PubChem	50989155

M. W.

156.14262

CAS

Similarity

N/A

ID: 258709

[(4-nitrophenyl)methyl](propan-2-yl)amine

$$$$ Data

M. F.

C10H14N2O2

Suppliers	Catalog Number
Enamine	EN300-41926

Database	Data ID
PubChem	13905385

M. W.

194.23036

CAS

Similarity

N/A

ID: 258710

N-[(4-nitrophenyl)methyl]cyclopropanamine

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
Enamine	EN300-41929

Database	Data ID
PubChem	4721336

M. W.

192.21448

CAS

Similarity

N/A

ID: 258711

3-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
Enamine	EN300-41930

Database	Data ID
PubChem	18624560

M. W.

192.21448

CAS

Similarity

N/A

ID: 258712

N-[(3-nitrophenyl)methyl]cyclopropanamine

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
Enamine	EN300-41931

Database	Data ID
PubChem	4719884

M. W.

192.21448

CAS

Similarity

N/A

ID: 258713

N-[(2-nitrophenyl)methyl]cyclopropanamine

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
Enamine	EN300-41932

Database	Data ID
PubChem	20121482

M. W.

192.21448

CAS

Similarity

N/A

ID: 258714

6-(4-fluorophenyl)-4-methyl-1H,6H-[1,2]diazolo[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C11H10FN5

Suppliers	Catalog Number
Enamine	EN300-41938

Database	Data ID
PubChem	16768419

M. W.

231.2290032

CAS

Similarity

N/A

ID: 258715

1-(adamantan-1-yl)-2-(chloromethyl)-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C18H22Cl2N2

Suppliers	Catalog Number
Enamine	EN300-41939

Database	Data ID
PubChem	42957591

M. W.

337.28668

CAS

Similarity

N/A

ID: 258716

3-amino-5-fluoro-4-methylbenzamide

$$$$ Data

M. F.

C8H9FN2O

Suppliers	Catalog Number
Enamine	EN300-41940

Database	Data ID
PubChem	39870746

M. W.

168.1682632

CAS

Similarity

N/A

ID: 258717

4-(aminomethyl)-N-cyclopropylbenzamide

$$$$ Data

M. F.

C11H14N2O

Suppliers	Catalog Number
Enamine	EN300-41943

Database	Data ID
PubChem	16771509

M. W.

190.24166

CAS

Similarity

N/A

ID: 258718

6-(3-fluorophenoxy)pyridin-3-amine

$$$$ Data

M. F.

C11H9FN2O

Suppliers	Catalog Number
Enamine	EN300-41944

Database	Data ID
PubChem	16789868

M. W.

204.2003632

CAS

954252-97-2

Similarity

N/A

ID: 258719

2-ethyl-1H,2H,3H,4H-benzo[b]1,6-naphthyridine-10-carboxylic acid hydrochloride

$$$$ Data

M. F.

C15H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-41950

Database	Data ID
PubChem	43810800

M. W.

292.76068

CAS

Similarity

N/A

ID: 258720

2-(propan-2-ylsulfanyl)pyridine-3-carboxylic acid hydrochloride

$$$$ Data

M. F.

C9H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-41951

Database	Data ID
PubChem	42937493

M. W.

233.71508

CAS

Similarity

N/A

ID: 258721

5-acetyl-2,3-dihydro-1H-indol-2-one

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Enamine	EN300-41953

Database	Data ID
PubChem	10219643

M. W.

175.18396

CAS

64483-69-8

Similarity

N/A

ID: 258722

3-hydrazinyl-6-(1H-pyrazol-1-yl)pyridazine

$$$$ Data

M. F.

C7H8N6

Suppliers	Catalog Number
Enamine	EN300-41954

Database	Data ID
PubChem	3031327

M. W.

176.17862

CAS

Similarity

N/A

ID: 258723

3-(piperazin-1-yl)-6-(1H-pyrazol-1-yl)pyridazine

$$$$ Data

M. F.

C11H14N6

Suppliers	Catalog Number
Enamine	EN300-41955

Database	Data ID
PubChem	39870750

M. W.

230.26906

CAS

Similarity

N/A

ID: 258724

6-(1-phenylethoxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C14H13NO3

Suppliers	Catalog Number
Enamine	EN300-41957

Database	Data ID
PubChem	20116539

M. W.

243.25792

CAS

Similarity

N/A

ID: 258725

2-(5-amino-2-methoxyphenoxy)acetamide

$$$$ Data

M. F.

C9H12N2O3

Suppliers	Catalog Number
Enamine	EN300-41958

Database	Data ID
PubChem	16794237

M. W.

196.20318

CAS

Similarity

N/A

ID: 258726

4-amino-2-benzyl-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C15H12N2O2

Suppliers	Catalog Number
Enamine	EN300-41959

Database	Data ID
PubChem	7109240

M. W.

252.26798

CAS

Similarity

N/A

ID: 258727

(4-amino-3-nitrophenyl)(phenyl)methanol

$$$$ Data

M. F.

C13H12N2O3

Suppliers	Catalog Number
Enamine	EN300-41960

Database	Data ID
PubChem	14518359

M. W.

244.24598

CAS

Similarity

N/A

ID: 258728

4-[(E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]benzoic acid

$$$$ Data

M. F.

C14H11FN2O2

Suppliers	Catalog Number
Enamine	EN300-41961

Database	Data ID
PubChem	9707433

M. W.

258.2477432

CAS

Similarity

N/A

ID: 258729

1-(3-methylbut-2-en-1-yl)piperidin-4-one

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Enamine	EN300-41964

Database	Data ID
PubChem	1714220

M. W.

167.24808

CAS

Similarity

N/A

ID: 258730

methyl 2-{[4-(propan-2-yl)phenyl]sulfanyl}acetate

$$$$ Data

M. F.

C12H16O2S

Suppliers	Catalog Number
Enamine	EN300-41965

Database	Data ID
PubChem	28888401

M. W.

224.31924

CAS

Similarity

N/A

ID: 258731

7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride

$$$$ Data

M. F.

C9H7ClFNO3S

Suppliers	Catalog Number
Enamine	EN300-41966

Database	Data ID
PubChem	43457407

M. W.

263.6731832

CAS

Similarity

N/A

ID: 258732

1-[4-(1-aminoethyl)phenyl]-3-cyclopropylurea

$$$$ Data

M. F.

C12H17N3O

Suppliers	Catalog Number
Enamine	EN300-41975

Database	Data ID
PubChem	54592441

M. W.

219.28288

CAS

Similarity

N/A

ID: 258733

3-(piperazin-1-yl)propanenitrile dihydrochloride

$$$$ Data

M. F.

C7H15Cl2N3

Suppliers	Catalog Number
Enamine	EN300-41976

Database	Data ID
PubChem	43810801

M. W.

212.1201

CAS

Similarity

N/A

ID: 258734

N-(2-nitrophenyl)pyrrolidine-1-carboxamide

$$$$ Data

M. F.

C11H13N3O3

Suppliers	Catalog Number
Enamine	EN300-41982

Database	Data ID
PubChem	31680804

M. W.

235.23922

CAS

Similarity

N/A

ID: 258735

5-acetyl-1-methyl-2,3-dihydro-1H-indol-2-one

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Enamine	EN300-41986

Database	Data ID
PubChem	33788970

M. W.

189.21054

CAS

Similarity

N/A

ID: 258736

1-(4-ethoxyphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C10H16ClNO

Suppliers	Catalog Number
Enamine	EN300-41987

Database	Data ID
PubChem	43810803

M. W.

201.69314

CAS

Similarity

N/A

ID: 258737

3-(piperazine-1-carbonyl)-1H-indole hydrochloride

$$$$ Data

M. F.

C13H16ClN3O

Suppliers	Catalog Number
Enamine	EN300-41988

Database	Data ID
PubChem	43810804

M. W.

265.73864

CAS

Similarity

N/A

ID: 258738

3-amino-N-[2-(diethylamino)ethyl]benzamide

$$$$ Data

M. F.

C13H21N3O

Suppliers	Catalog Number
Enamine	EN300-41989

Database	Data ID
PubChem	16793194

M. W.

235.32534

CAS

Similarity

N/A

ID: 258739

5-[(methylsulfanyl)methyl]furan-2-carbaldehyde

$$$$ Data

M. F.

C7H8O2S

Suppliers	Catalog Number
Enamine	EN300-41990

Database	Data ID
PubChem	39870752

M. W.

156.20222

CAS

Similarity

N/A

ID: 258740

3-[(3-aminophenyl)methyl]-1,3-oxazolidin-2-one

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
Enamine	EN300-41994

Database	Data ID
PubChem	28395342

M. W.

192.21448

CAS

Similarity

N/A

ID: 258741

2-{imidazo[2,1-b][1,3]thiazol-3-yl}acetic acid

$$$$ Data

M. F.

C7H6N2O2S

Suppliers	Catalog Number
Enamine	EN300-42001

Database	Data ID
PubChem	43612195

M. W.

182.19974

CAS

Similarity

N/A

ID: 258742

(Z)-N-{1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylidene}hydroxylamine

$$$$ Data

M. F.

C12H17NO4

Suppliers	Catalog Number
Enamine	EN300-42004

Database	Data ID
PubChem	28203410

M. W.

239.26768

CAS

Similarity

N/A

ID: 258743

ethyl 3-(bromomethyl)thieno[3,2-b]thiophene-2-carboxylate

$$$$ Data

M. F.

C10H9BrO2S2

Suppliers	Catalog Number
Enamine	EN300-42005

Database	Data ID
PubChem	39870754

M. W.

305.21126

CAS

Similarity

N/A

ID: 258744

methyl 5-amino-1-benzofuran-2-carboxylate hydrochloride

$$$$ Data

M. F.

C10H10ClNO3

Suppliers	Catalog Number
Enamine	EN300-42006

Database	Data ID
PubChem	43810805

M. W.

227.6443

CAS

Similarity

N/A

ID: 258745

2-(1,4-diazepan-1-yl)acetamide dihydrochloride

$$$$ Data

M. F.

C7H17Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-42007

Database	Data ID
PubChem	42937259

M. W.

230.13538

CAS

Similarity

N/A

ID: 258746

2-(4-aminopiperidin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one dihydrochloride

$$$$ Data

M. F.

C11H23Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-42008

Database	Data ID
PubChem	42937268

M. W.

284.22582

CAS

Similarity

N/A

ID: 258747

2-[4-(aminomethyl)phenoxy]-1-(morpholin-4-yl)ethan-1-one

$$$$ Data

M. F.

C13H18N2O3

Suppliers	Catalog Number
Enamine	EN300-42009

Database	Data ID
PubChem	16773071

M. W.

250.29362

CAS

Similarity

N/A

ID: 258748

3-(3-chloro-4-methylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid

$$$$ Data

M. F.

C16H11ClN2O3

Suppliers	Catalog Number
Enamine	EN300-42010

Database	Data ID
PubChem	16776203

M. W.

314.72314

CAS

Similarity

N/A

ID: 258749

ethyl(oxolan-3-ylmethyl)amine

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Enamine	EN300-42012

Database	Data ID
PubChem	22355252

M. W.

129.2001

CAS

Similarity

N/A

ID: 258750

[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine

$$$$ Data

M. F.

C14H16N2O2

Suppliers	Catalog Number
Enamine	EN300-42013

Database	Data ID
PubChem	16795206

M. W.

244.28904

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