CAS 45791-36-4|(R)-1-(4-Bromophenyl)ethylamine|(1R)-1-(4-bromophenyl)ethanamine|(1R)-1-(4-bromophenyl)ethan-1-amine|(R)-(+)-1-(4-溴苯基)乙胺|(R)-(+)-4-溴-α-苯乙胺|(R)-(+)-1-(4-Bromophenyl)ethylamin...

General Information

Structure

Molecular Formula

C₈H₁₀BrN

Molecular Mass

200.0757

Exact Mass

198.99966133

Charge

InChI

InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1

InChIKey

SOZMSEPDYJGBEK-ZCFIWIBFSA-N

Canonic Smiles

C[C@H](c1ccc(cc1)Br)N

Isomeric Smiles

N[C@H](C)c1ccc(cc1)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.71927756

LogD (pH = 7.4)

0.06774434

Log P

2.2843418

Molar Refractivity

46.573

Polarizability

18.251343

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(R)-1-(4-Bromophenyl)ethylamine(R)-(+)-1-(4-溴苯基)乙胺(R)-(+)-4-溴-α-苯乙胺(R)-(+)-1-(4-Bromophenyl)ethylamine(R)-(+)-4-Bromo-α-methylbenzylamine(1R)-1-(4-bromophenyl)ethan-1-amine(R)-(+)-p-Bromo-alpha-methylbenzylamine(R)-(+)-1-(4-溴苯基)乙胺, ChiPros(R)-(+)-1-(4-Bromophenyl)ethylamine, ChiPros

IUPAC Traditional name

(1R)-1-(4-bromophenyl)ethanamine

IUPAC name

(1R)-1-(4-bromophenyl)ethan-1-amine

Names and Identifiers

Registration numbers

EC Number

256-245-0

Beilstein Number

2412319

PubChem SID

24850887162036621