Chembase list of 866358 unique molecular structures

[4-methyl-2-(pyrrolidin-1-yl)phenyl]methanamine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Enamine	EN300-104361

Database	Data ID
PubChem	62308269

M. W.

190.28472

CAS

Similarity

N/A

ID: 236702

1-(2-fluorophenyl)-1H-pyrazol-4-amine

$$$$ Data

M. F.

C9H8FN3

Suppliers	Catalog Number
Enamine	EN300-104362

Database	Data ID
PubChem	43531711

M. W.

177.1783232

CAS

Similarity

N/A

ID: 236703

{4-fluoro-2-[(methylsulfanyl)methyl]phenyl}methanamine

$$$$ Data

M. F.

C9H12FNS

Suppliers	Catalog Number
Enamine	EN300-104363

Database	Data ID
PubChem	64763743

M. W.

185.2616832

CAS

Similarity

N/A

ID: 236704

1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-ol

$$$$ Data

M. F.

C10H11N3O

Suppliers	Catalog Number
Enamine	EN300-104367

Database	Data ID
PubChem	19880800

M. W.

189.21384

CAS

Similarity

N/A

ID: 236705

2-fluoro-3-methyl-5-nitrobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H5ClFNO4S

Suppliers	Catalog Number
Enamine	EN300-104368

Database	Data ID
PubChem	57562880

M. W.

253.6353032

CAS

Similarity

N/A

ID: 236706

3-(2-chloroacetyl)-1-(3,4-diethoxyphenyl)urea

$$$$ Data

M. F.

C13H17ClN2O4

Suppliers	Catalog Number
Enamine	EN300-10437

Database	Data ID
PubChem	2117392

M. W.

300.73808

CAS

Similarity

N/A

ID: 236707

2-(2-bromophenyl)pyrrolidine hydrochloride

$$$$ Data

M. F.

C10H13BrClN

Suppliers	Catalog Number
Enamine	EN300-104371

Database	Data ID
PubChem	14748712

M. W.

262.57392

CAS

Similarity

N/A

ID: 236708

3-sulfanyl-1,2,4-triazin-5-ol

$$$$ Data

M. F.

C3H3N3OS

Suppliers	Catalog Number
Enamine	EN300-104375

Database	Data ID
PubChem	1275976

M. W.

129.14042

CAS

Similarity

N/A

ID: 236709

[2-(2-ethoxyethoxy)-4-methylphenyl]methanamine

$$$$ Data

M. F.

C12H19NO2

Suppliers	Catalog Number
Enamine	EN300-104377

Database	Data ID
PubChem	62308849

M. W.

209.28476

CAS

Similarity

N/A

ID: 236710

5-(4-bromophenyl)-1H-imidazol-2-amine

$$$$ Data

M. F.

C9H8BrN3

Suppliers	Catalog Number
ChemBridge	4025963
Enamine	EN300-104378

Database	Data ID
PubChem	13012255

M. W.

238.08392

CAS

60472-19-7

Similarity

N/A

ID: 236711

3-(2-chloroacetyl)-1-(3,4-dipropoxyphenyl)urea

$$$$ Data

M. F.

C15H21ClN2O4

Suppliers	Catalog Number
Enamine	EN300-10438

Database	Data ID
PubChem	2117384

M. W.

328.79124

CAS

Similarity

N/A

ID: 236712

2-phenyl-1,2,3,4-tetrahydroquinoline hydrochloride

$$$$ Data

M. F.

C15H16ClN

Suppliers	Catalog Number
Enamine	EN300-104380

Database	Data ID
PubChem	71755763

M. W.

245.74724

CAS

Similarity

N/A

ID: 236713

2,3-dioxo-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4(12...

$$$$ Data

M. F.

C12H9NO4

Suppliers	Catalog Number
Enamine	EN300-104382

Database	Data ID
PubChem	71755764

M. W.

231.20416

CAS

Similarity

N/A

ID: 236714

2-(benzylamino)-1-(thiophen-2-yl)ethan-1-ol

$$$$ Data

M. F.

C13H15NOS

Suppliers	Catalog Number
Enamine	EN300-104383

Database	Data ID
PubChem	10922435

M. W.

233.3293

CAS

Similarity

N/A

ID: 236715

3-amino-1-[(4-fluorophenyl)methyl]-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C12H11FN2O

Suppliers	Catalog Number
Enamine	EN300-104384

Database	Data ID
PubChem	58217829

M. W.

218.2269432

CAS

Similarity

N/A

ID: 236716

3-ethyl-1-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Enamine	EN300-104386

Database	Data ID
PubChem	71755765

M. W.

190.28472

CAS

Similarity

N/A

ID: 236717

1-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine hydrochloride

$$$$ Data

M. F.

C12H20ClNO

Suppliers	Catalog Number
Enamine	EN300-104387

Database	Data ID
PubChem	71755766

M. W.

229.7463

CAS

Similarity

N/A

ID: 236718

cyclopentyl(2-fluorophenyl)methanamine

$$$$ Data

M. F.

C12H16FN

Suppliers	Catalog Number
Enamine	EN300-104388

Database	Data ID
PubChem	62501124

M. W.

193.2605432

CAS

Similarity

N/A

ID: 236719

2-bromocyclopentan-1-amine hydrobromide

$$$$ Data

M. F.

C5H11Br2N

Suppliers	Catalog Number
Enamine	EN300-104389

Database	Data ID
PubChem	71755767

M. W.

244.95554

CAS

Similarity

N/A

ID: 236720

4-[3-(trifluoromethyl)benzenesulfonamido]butanoic acid

$$$$ Data

M. F.

C11H12F3NO4S

Suppliers	Catalog Number
Enamine	EN300-10439

Database	Data ID
PubChem	1582749

M. W.

311.2774896

CAS

Similarity

N/A

ID: 236721

2-N-methylpyrimidine-2,5-diamine

$$$$ Data

M. F.

C5H8N4

Suppliers	Catalog Number
Enamine	EN300-104390

Database	Data ID
PubChem	61146915

M. W.

124.14382

CAS

Similarity

N/A

ID: 236722

(2E)-1-phenyl-3-(sodiooxy)prop-2-en-1-one

$$$$ Data

M. F.

C9H7NaO2

Suppliers	Catalog Number
Enamine	EN300-10440

Database	Data ID
PubChem	6374392

M. W.

170.14045

CAS

Similarity

N/A

ID: 236723

[2-(cyclopropylmethoxy)-4-methylphenyl]methanamine

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Enamine	EN300-104402

Database	Data ID
PubChem	62307302

M. W.

191.26948

CAS

Similarity

N/A

ID: 236724

(4,5-dimethyl-1H-imidazol-2-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C6H13Cl2N3

Suppliers	Catalog Number
Enamine	EN300-104403

Database	Data ID
PubChem	67007045

M. W.

198.09352

CAS

Similarity

N/A

ID: 236725

methyl 2-amino-6-chloro-3-methylbenzoate

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-104404

Database	Data ID
PubChem	23446878

M. W.

199.6342

CAS

Similarity

N/A

ID: 236726

(diethyl-1,2-oxazol-4-yl)methanamine

$$$$ Data

M. F.

C8H14N2O

Suppliers	Catalog Number
Enamine	EN300-104405

Database	Data ID
PubChem	71755768

M. W.

154.20956

CAS

Similarity

N/A

ID: 236727

2-aminocyclooctane-1-carboxylic acid hydrochloride

$$$$ Data

M. F.

C9H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-104407

Database	Data ID
PubChem	53396880

M. W.

207.69772

CAS

Similarity

N/A

ID: 236728

2-[(butylamino)methyl]-3,4-dihydroquinazolin-4-one hydrochloride

$$$$ Data

M. F.

C13H18ClN3O

Suppliers	Catalog Number
Enamine	EN300-10441

Database	Data ID
PubChem	16196385

M. W.

267.75452

CAS

Similarity

N/A

ID: 236729

N-methylpyrimidin-4-amine

$$$$ Data

M. F.

C5H7N3

Suppliers	Catalog Number
Enamine	EN300-104410
A&J Pharmtech	AJA-O18780

Database	Data ID
PubChem	519971

M. W.

109.12918

CAS

22632-10-6

Similarity

N/A

ID: 236730

5-bromo-4-chlorothiophene-2-sulfonyl chloride

$$$$ Data

M. F.

C4HBrCl2O2S2

Suppliers	Catalog Number
Enamine	EN300-104411

Database	Data ID
PubChem	20623924

M. W.

295.98954

CAS

Similarity

N/A

ID: 236731

4-(butan-2-yl)benzoic acid

$$$$ Data

M. F.

C11H14O2

Suppliers	Catalog Number
Enamine	EN300-104412

Database	Data ID
PubChem	2753386

M. W.

178.22766

CAS

Similarity

N/A

ID: 236732

1-[(4-bromophenyl)methyl]-1H-imidazol-2-amine hydrochloride

$$$$ Data

M. F.

C10H11BrClN3

Suppliers	Catalog Number
Enamine	EN300-104413

Database	Data ID
PubChem	71755769

M. W.

288.57144

CAS

Similarity

N/A

ID: 236733

[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanamine hydrochloride

$$$$ Data

M. F.

C10H13ClN4O

Suppliers	Catalog Number
Enamine	EN300-104414

Database	Data ID
PubChem	71755770

M. W.

240.68942

CAS

Similarity

N/A

ID: 236734

(1-phenyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride

$$$$ Data

M. F.

C9H11ClN4

Suppliers	Catalog Number
Enamine	EN300-104415

Database	Data ID
PubChem	71755771

M. W.

210.66344

CAS

Similarity

N/A

ID: 236735

(1R)-1-[5-chloro-2-(difluoromethoxy)phenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H11Cl2F2NO

Suppliers	Catalog Number
Enamine	EN300-104416

Database	Data ID
PubChem	71755772

M. W.

258.0925464

CAS

Similarity

N/A

ID: 236736

(1S)-1-[5-chloro-2-(difluoromethoxy)phenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H11Cl2F2NO

Suppliers	Catalog Number
Enamine	EN300-104417

Database	Data ID
PubChem	71755773

M. W.

258.0925464

CAS

Similarity

N/A

ID: 236737

(1S)-1-[2-(difluoromethoxy)-4-fluorophenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H11ClF3NO

Suppliers	Catalog Number
Enamine	EN300-104418

Database	Data ID
PubChem	71755775

M. W.

241.6379496

CAS

Similarity

N/A

ID: 236738

(1R)-1-[2-(difluoromethoxy)-4-fluorophenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H11ClF3NO

Suppliers	Catalog Number
Enamine	EN300-104419

Database	Data ID
PubChem	71755777

M. W.

241.6379496

CAS

Similarity

N/A

ID: 236739

7-chloro-2-[(ethylamino)methyl]-3,4-dihydroquinazolin-4-one hydrochloride

$$$$ Data

M. F.

C11H13Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-10442

Database	Data ID
PubChem	16196346

M. W.

274.14642

CAS

Similarity

N/A

ID: 236740

2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C5H11ClN4

Suppliers	Catalog Number
Enamine	EN300-104422

Database	Data ID
PubChem	71755778

M. W.

162.62064

CAS

Similarity

N/A

ID: 236741

2-(1-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C5H11ClN4

Suppliers	Catalog Number
Enamine	EN300-104423

Database	Data ID
PubChem	71755779

M. W.

162.62064

CAS

Similarity

N/A

ID: 236742

2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonitrile

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
Enamine	EN300-104429

Database	Data ID
PubChem	15270576

M. W.

172.18332

CAS

Similarity

N/A

ID: 236743

2-{[(2-methoxyethyl)amino]methyl}-3,4-dihydroquinazolin-4-one hydrochloride

$$$$ Data

M. F.

C12H16ClN3O2

Suppliers	Catalog Number
Enamine	EN300-10443

Database	Data ID
PubChem	16244794

M. W.

269.72734

CAS

Similarity

N/A

ID: 236744

7-chloro-2-[(propylamino)methyl]-3,4-dihydroquinazolin-4-one hydrochloride

$$$$ Data

M. F.

C12H15Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-10444

Database	Data ID
PubChem	16244795

M. W.

288.173

CAS

Similarity

N/A

ID: 236745

3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitri...

$$$$ Data

M. F.

C15H13F2N3O3

Suppliers	Catalog Number
Enamine	EN300-10445

Database	Data ID
PubChem	2513526

M. W.

321.2788264

CAS

Similarity

N/A

ID: 236746

(2Z)-3-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid

$$$$ Data

M. F.

C13H8BrN3O2

Suppliers	Catalog Number
Enamine	EN300-10446

Database	Data ID
PubChem	2513220

M. W.

318.12552

CAS

Similarity

N/A

ID: 236747

N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide

$$$$ Data

M. F.

C12H14BrNO2

Suppliers	Catalog Number
Enamine	EN300-104461

Database	Data ID
PubChem	47317646

M. W.

284.14906

CAS

Similarity

N/A

ID: 236748

1-(2-aminoethyl)piperidine-4-carboxamide

$$$$ Data

M. F.

C8H17N3O

Suppliers	Catalog Number
Enamine	EN300-104462

Database	Data ID
PubChem	16779800

M. W.

171.24008

CAS

Similarity

N/A

ID: 236749

5-(5-chloro-1,3,4-thiadiazol-2-yl)quinoline

$$$$ Data

M. F.

C11H6ClN3S

Suppliers	Catalog Number
Enamine	EN300-104463

Database	Data ID
PubChem	63386494

M. W.

247.70344

CAS

Similarity

N/A

ID: 236750

5-amino-2,3-dihydro-1H-inden-2-ol

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Enamine	EN300-104464

Database	Data ID
PubChem	21555031

M. W.

149.18974

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