Chembase list of 866358 unique molecular structures

(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine

$$$$ Data

M. F.

C4H7F2N

Suppliers	Catalog Number
Enamine	EN300-86505

Database	Data ID
PubChem	54595331

M. W.

107.1018864

CAS

Similarity

N/A

ID: 279552

[5-(trifluoromethyl)pyrrolidin-2-yl]methanol

$$$$ Data

M. F.

C6H10F3NO

Suppliers	Catalog Number
Enamine	EN300-86507

Database	Data ID
PubChem	54595332

M. W.

169.1449096

CAS

Similarity

N/A

ID: 279553

[5-(trifluoromethyl)pyrrolidin-2-yl]methanamine

$$$$ Data

M. F.

C6H11F3N2

Suppliers	Catalog Number
Enamine	EN300-86508

Database	Data ID
PubChem	54595333

M. W.

168.1601496

CAS

Similarity

N/A

ID: 279554

tert-butyl 2-(aminomethyl)-5-(trifluoromethyl)pyrrolidine-1-carboxylate

$$$$ Data

M. F.

C11H19F3N2O2

Suppliers	Catalog Number
Enamine	EN300-86511

Database	Data ID
PubChem	54595334

M. W.

268.2759696

CAS

Similarity

N/A

ID: 279555

tert-butyl N-{[5-(trifluoromethyl)pyrrolidin-2-yl]methyl}carbamate

$$$$ Data

M. F.

C11H19F3N2O2

Suppliers	Catalog Number
Enamine	EN300-86513

Database	Data ID
PubChem	54595335

M. W.

268.2759696

CAS

Similarity

N/A

ID: 279556

(1S)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride

$$$$ Data

M. F.

C6H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-86516

Database	Data ID
PubChem	20849997

M. W.

163.6021

CAS

Similarity

N/A

ID: 279557

5-(difluoromethanesulfonylmethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C7H6F2O5S

Suppliers	Catalog Number
Enamine	EN300-86517

Database	Data ID
PubChem	28819693

M. W.

240.1813464

CAS

Similarity

N/A

ID: 279558

2-[4-(2-methoxyethyl)phenoxy]acetic acid

$$$$ Data

M. F.

C11H14O4

Suppliers	Catalog Number
Enamine	EN300-86525

Database	Data ID
PubChem	16228007

M. W.

210.22646

CAS

Similarity

N/A

ID: 279559

2-[4-(2-methoxyethyl)phenoxy]propanoic acid

$$$$ Data

M. F.

C12H16O4

Suppliers	Catalog Number
Enamine	EN300-86526

Database	Data ID
PubChem	16228008

M. W.

224.25304

CAS

Similarity

N/A

ID: 279560

2-[(3-oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]propanoic acid

$$$$ Data

M. F.

C11H10O5

Suppliers	Catalog Number
Enamine	EN300-86529

Database	Data ID
PubChem	16228012

M. W.

222.1941

CAS

Similarity

N/A

ID: 279561

(5-chloro-1,3-benzothiazol-2-yl)methanol

$$$$ Data

M. F.

C8H6ClNOS

Suppliers	Catalog Number
Enamine	EN300-86530

Database	Data ID
PubChem	7131977

M. W.

199.65734

CAS

Similarity

N/A

ID: 279562

(5-chloro-1,3-benzothiazol-2-yl)methyl 4-methylbenzene-1-sulfonate

$$$$ Data

M. F.

C15H12ClNO3S2

Suppliers	Catalog Number
Enamine	EN300-86531

Database	Data ID
PubChem	7131979

M. W.

353.84368

CAS

Similarity

N/A

ID: 279563

[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl 4-methylbenzene-1-sulfonate

$$$$ Data

M. F.

C16H12F3NO3S2

Suppliers	Catalog Number
Enamine	EN300-86532

Database	Data ID
PubChem	7131980

M. W.

387.3965896

CAS

Similarity

N/A

ID: 279564

6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

$$$$ Data

M. F.

C9H8F3NS

Suppliers	Catalog Number
Enamine	EN300-86533

Database	Data ID
PubChem	7064118

M. W.

219.2267296

CAS

Similarity

N/A

ID: 279565

5-(benzyloxy)-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde

$$$$ Data

M. F.

C17H16O3

Suppliers	Catalog Number
Enamine	EN300-86535

Database	Data ID
PubChem	16228020

M. W.

268.30714

CAS

Similarity

N/A

ID: 279566

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

$$$$ Data

M. F.

C9H8BrClO2

Suppliers	Catalog Number
Enamine	EN300-86536

Database	Data ID
PubChem	16228024

M. W.

263.51562

CAS

Similarity

N/A

ID: 279567

1-(3-bromo-5-chloro-2-methoxyphenyl)ethan-1-amine

$$$$ Data

M. F.

C9H11BrClNO

Suppliers	Catalog Number
Enamine	EN300-86537

Database	Data ID
PubChem	16228025

M. W.

264.54674

CAS

Similarity

N/A

ID: 279568

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-chloroethan-1-one

$$$$ Data

M. F.

C9H7BrCl2O2

Suppliers	Catalog Number
Enamine	EN300-86540

Database	Data ID
PubChem	16228031

M. W.

297.96068

CAS

Similarity

N/A

ID: 279569

2-(hydroxymethyl)pyrimidine-4,6-diol

$$$$ Data

M. F.

C5H6N2O3

Suppliers	Catalog Number
Enamine	EN300-86541

Database	Data ID
PubChem	232790

M. W.

142.11274

CAS

Similarity

N/A

ID: 279570

1,2,3-triethoxy-5-isocyanatobenzene

$$$$ Data

M. F.

C13H17NO4

Suppliers	Catalog Number
Enamine	EN300-86543

Database	Data ID
PubChem	16228033

M. W.

251.27838

CAS

Similarity

N/A

ID: 279571

1,2-diethoxy-4-isocyanatobenzene

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Enamine	EN300-86544

Database	Data ID
PubChem	13236880

M. W.

207.22582

CAS

Similarity

N/A

ID: 279572

2-bromo-5-isocyanato-1,3-dimethoxybenzene

$$$$ Data

M. F.

C9H8BrNO3

Suppliers	Catalog Number
Enamine	EN300-86545

Database	Data ID
PubChem	16228039

M. W.

258.06872

CAS

Similarity

N/A

ID: 279573

4-bromo-7-hydroxy-3-methyl-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C10H9BrO2

Suppliers	Catalog Number
Enamine	EN300-86546

Database	Data ID
PubChem	11053792

M. W.

241.08126

CAS

Similarity

N/A

ID: 279574

4,6-dichloro-7-hydroxy-3-methyl-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C10H8Cl2O2

Suppliers	Catalog Number
Enamine	EN300-86547

Database	Data ID
PubChem	16228042

M. W.

231.07532

CAS

Similarity

N/A

ID: 279575

6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C10H8ClFO2

Suppliers	Catalog Number
Enamine	EN300-86548

Database	Data ID
PubChem	16228043

M. W.

214.6207232

CAS

Similarity

N/A

ID: 279576

4-ethyl-7-hydroxy-3-methyl-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C12H14O2

Suppliers	Catalog Number
Enamine	EN300-86550

Database	Data ID
PubChem	16228044

M. W.

190.23836

CAS

Similarity

N/A

ID: 279577

6-bromo-4-chloro-7-hydroxy-3-methyl-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C10H8BrClO2

Suppliers	Catalog Number
Enamine	EN300-86551

Database	Data ID
PubChem	16228045

M. W.

275.52632

CAS

Similarity

N/A

ID: 279578

6-bromo-4-fluoro-7-hydroxy-3-methyl-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C10H8BrFO2

Suppliers	Catalog Number
Enamine	EN300-86552

Database	Data ID
PubChem	16228046

M. W.

259.0717232

CAS

Similarity

N/A

ID: 279579

7-hydroxy-3,4,6-trimethyl-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C12H14O2

Suppliers	Catalog Number
Enamine	EN300-86553

Database	Data ID
PubChem	16228048

M. W.

190.23836

CAS

Similarity

N/A

ID: 279580

2-(1-benzofuran-2-yl)quinoline-4-carboxylic acid

$$$$ Data

M. F.

C18H11NO3

Suppliers	Catalog Number
Enamine	EN300-86554

Database	Data ID
PubChem	4038423

M. W.

289.28484

CAS

Similarity

N/A

ID: 279581

[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methanamine

$$$$ Data

M. F.

C15H22N2O

Suppliers	Catalog Number
Enamine	EN300-86555

Database	Data ID
PubChem	16228055

M. W.

246.34798

CAS

Similarity

N/A

ID: 279582

[4-(azocane-1-carbonyl)phenyl]methanamine

$$$$ Data

M. F.

C15H22N2O

Suppliers	Catalog Number
Enamine	EN300-86556

Database	Data ID
PubChem	16228057

M. W.

246.34798

CAS

Similarity

N/A

ID: 279583

1-[4-(aminomethyl)benzoyl]piperidin-4-one

$$$$ Data

M. F.

C13H16N2O2

Suppliers	Catalog Number
Enamine	EN300-86557

Database	Data ID
PubChem	16228058

M. W.

232.27834

CAS

Similarity

N/A

ID: 279584

[4-(azetidine-1-carbonyl)phenyl]methanamine

$$$$ Data

M. F.

C11H14N2O

Suppliers	Catalog Number
Enamine	EN300-86558

Database	Data ID
PubChem	16228059

M. W.

190.24166

CAS

Similarity

N/A

ID: 279585

{2-[(dipropylamino)methyl]phenyl}methanamine

$$$$ Data

M. F.

C14H24N2

Suppliers	Catalog Number
Enamine	EN300-86559

Database	Data ID
PubChem	16228066

M. W.

220.35376

CAS

Similarity

N/A

ID: 279586

ethyl 2-ethyl-5-nitropyridine-3-carboxylate

$$$$ Data

M. F.

C10H12N2O4

Suppliers	Catalog Number
Enamine	EN300-86560

Database	Data ID
PubChem	16228071

M. W.

224.21328

CAS

Similarity

N/A

ID: 279587

ethyl 5-nitro-2-propylpyridine-3-carboxylate

$$$$ Data

M. F.

C11H14N2O4

Suppliers	Catalog Number
Enamine	EN300-86561

Database	Data ID
PubChem	16228072

M. W.

238.23986

CAS

Similarity

N/A

ID: 279588

2-chloro-1-[2-(3-chlorophenyl)-1H-indol-3-yl]ethan-1-one

$$$$ Data

M. F.

C16H11Cl2NO

Suppliers	Catalog Number
Enamine	EN300-86562

Database	Data ID
PubChem	16228073

M. W.

304.17064

CAS

Similarity

N/A

ID: 279589

1-[4-(2,2,2-trifluoroethanesulfonyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C10H9F3O3S

Suppliers	Catalog Number
Enamine	EN300-86563

Database	Data ID
PubChem	54595336

M. W.

266.2368696

CAS

Similarity

N/A

ID: 279590

1-[4-(2,2-difluoroethanesulfonyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C10H10F2O3S

Suppliers	Catalog Number
Enamine	EN300-86564

Database	Data ID
PubChem	54595337

M. W.

248.2464064

CAS

Similarity

N/A

ID: 279591

6,6-dimethyl-3-azabicyclo[3.1.0]hexane hydrochloride

$$$$ Data

M. F.

C7H14ClN

Suppliers	Catalog Number
Enamine	EN300-86565

Database	Data ID
PubChem	54595338

M. W.

147.64576

CAS

Similarity

N/A

ID: 279592

4-chloro-2-oxo-2,3-dihydro-1,3-thiazole-5-carbaldehyde

$$$$ Data

M. F.

C4H2ClNO2S

Suppliers	Catalog Number
Enamine	EN300-86566

Database	Data ID
PubChem	12198029

M. W.

163.58218

CAS

Similarity

N/A

ID: 279593

2-chloro-1-[2-(3,4-dimethylphenyl)-1H-indol-3-yl]ethan-1-one

$$$$ Data

M. F.

C18H16ClNO

Suppliers	Catalog Number
Enamine	EN300-86567

Database	Data ID
PubChem	16228074

M. W.

297.77874

CAS

Similarity

N/A

ID: 279594

2-chloro-1-[2-(2,4-dichlorophenyl)-1H-indol-3-yl]ethan-1-one

$$$$ Data

M. F.

C16H10Cl3NO

Suppliers	Catalog Number
Enamine	EN300-86568

Database	Data ID
PubChem	16228075

M. W.

338.6157

CAS

Similarity

N/A

ID: 279595

1-[2-(2-bromophenyl)-1H-indol-3-yl]-2-chloroethan-1-one

$$$$ Data

M. F.

C16H11BrClNO

Suppliers	Catalog Number
Enamine	EN300-86569

Database	Data ID
PubChem	16228076

M. W.

348.62164

CAS

Similarity

N/A

ID: 279596

2-chloro-1-[2-(4-methylphenyl)-1H-indol-3-yl]ethan-1-one

$$$$ Data

M. F.

C17H14ClNO

Suppliers	Catalog Number
Enamine	EN300-86570

Database	Data ID
PubChem	16228077

M. W.

283.75216

CAS

Similarity

N/A

ID: 279597

2-(phenylsulfanyl)ethane-1-sulfonyl chloride

$$$$ Data

M. F.

C8H9ClO2S2

Suppliers	Catalog Number
Enamine	EN300-86571

Database	Data ID
PubChem	13418706

M. W.

236.73886

CAS

Similarity

N/A

ID: 279598

2-chloro-1-[2-(4-chlorophenyl)-1H-indol-3-yl]ethan-1-one

$$$$ Data

M. F.

C16H11Cl2NO

Suppliers	Catalog Number
Enamine	EN300-86572

Database	Data ID
PubChem	16228078

M. W.

304.17064

CAS

Similarity

N/A

ID: 279599

2-chloro-1-[2-(2-chlorophenyl)-1H-indol-3-yl]ethan-1-one

$$$$ Data

M. F.

C16H11Cl2NO

Suppliers	Catalog Number
Enamine	EN300-86573

Database	Data ID
PubChem	16228079

M. W.

304.17064

CAS

Similarity

N/A

ID: 279600

1-[2-(4-tert-butylphenyl)-1H-indol-3-yl]-2-chloroethan-1-one

$$$$ Data

M. F.

C20H20ClNO

Suppliers	Catalog Number
Enamine	EN300-86575

Database	Data ID
PubChem	16228080

M. W.

325.8319

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