CAS 110529-22-1|(S)-α,α-Diphenyl-N-methyl-2-pyrrolidinemethanol|α,α-Diphenyl-N-methyl-L-prolinol|(S)-α,α-二苯基-N-甲基-2-吡咯烷甲醇|α,α-二苯基-N-甲基-L-脯氨醇|[(2S)-1-methylpyrrolidin-2-yl]d...

General Information

Structure

Molecular Formula

C₁₈H₂₁NO

Molecular Mass

267.36544

Exact Mass

267.1623143

Charge

InChI

InChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m0/s1

InChIKey

XIJAGFLYYNXCAB-KRWDZBQOSA-N

Canonic Smiles

CN1CCC[C@H]1C(c1ccccc1)(c1ccccc1)O

Isomeric Smiles

N1(CCC[C@H]1C(c1ccccc1)(c1ccccc1)O)C

Calculated Properties

JChem

Acid pKa

12.874183

H Acceptors

H Donor

LogD (pH = 5.5)

-0.13964182

LogD (pH = 7.4)

1.099881

Log P

3.2593944

Molar Refractivity

82.4776

Polarizability

32.432354

Polar Surface Area

23.47

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

α,α-Diphenyl-N-methyl-L-prolinol(S)-α,α-Diphenyl-N-methyl-2-pyrrolidinemethanol(S)-α,α-二苯基-N-甲基-2-吡咯烷甲醇α,α-二苯基-N-甲基-L-脯氨醇alpha,alpha-二苯基-N-甲基-L-脯氨醇(S)-alpha,alpha-Diphenyl-1-methylpyrrolidine-2-methanolalpha,alpha-Diphenyl-N-methyl-L-prolinol(2S)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine[(2S)-1-Methylpyrrolidin-2-yl](diphenyl)methanolalpha,alpha-Diphenyl-N-methyl-L-prolinol

IUPAC Traditional name

[(2S)-1-methylpyrrolidin-2-yl]diphenylmethanol

IUPAC name

[(2S)-1-methylpyrrolidin-2-yl]diphenylmethanol

Names and Identifiers

Registration numbers

CAS Number

110529-22-1

PubChem SID

24866974162039339

Beilstein Number

4749387