CAS 114715-39-8|CAS 114715-38-7|(3R)-1-benzylpyrrolidin-3-amine|(3S)-1-Benzylpyrrolidin-3-amine, {[(3S)-3-Aminopyrrolidin-1-yl]methyl}benzene|(3S)-3-Amino-1-benzylpyrrolidine|(3R)-1-benzylpyrrolidin...

General Information

Structure

Molecular Formula

C₁₁H₁₆N₂

Molecular Mass

176.25814

Exact Mass

176.13134852

Charge

InChI

InChI=1S/C11H16N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2/t11-/m1/s1

InChIKey

HBVNLKQGRZPGRP-LLVKDONJSA-N

Canonic Smiles

N[C@@H]1CCN(C1)Cc1ccccc1

Isomeric Smiles

N1(C[C@@H](CC1)N)Cc1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.4146807

LogD (pH = 7.4)

-1.3265069

Log P

1.0658606

Molar Refractivity

55.1171

Polarizability

21.906347

Polar Surface Area

29.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(3R)-1-benzylpyrrolidin-3-amine

Synonyms

(3S)-3-Amino-1-benzylpyrrolidine(3S)-1-Benzylpyrrolidin-3-amine, {[(3S)-3-Aminopyrrolidin-1-yl]methyl}benzene(3R)-(-)-3-Amino-1-benzylpyrrolidine(R)-(-)-1-Benzyl-3-aminopyrrolidine(R)-(-)-1-苯甲基-3-氨基吡咯烷(R)-1-Benzyl-3-aminopyrrolidine(R)-(-)-1-苄基-3-氨基吡咯烷(R)-(-)-1-BENZYL-3-AMINOPYRROLIDINE

IUPAC name

(3R)-1-benzylpyrrolidin-3-amine

Names and Identifiers

Registration numbers

MDL Number

MFCD00082638MFCD00082766

PubChem SID

24878169162076023

PubChem CID

1519354

CAS Number

114715-39-8114715-38-7