CAS 24358-62-1|CAS 45791-36-4|4-Bromo-α-methylbenzylamine|1-(4-bromophenyl)ethan-1-amine|4-溴-α-甲基苄胺|[1-(4-Bromophenyl)ethyl]amine|1-(4-bromophenyl)ethanamine|1-(4-bromophenyl)ethanamine|1-(4-...

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

InChIKey

SOZMSEPDYJGBEK-UHFFFAOYSA-N

Canonic Smiles

CC(c1ccc(cc1)Br)N

Isomeric Smiles

c1c(ccc(c1)C(N)C)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

4-Bromo-α-methylbenzylamine4-溴-α-甲基苄胺[1-(4-Bromophenyl)ethyl]amine1-(4-bromophenyl)ethanamine1-(4-Bromophenyl)ethylamine(±)-1-(4-Bromophenyl)ethylamine(±)-1-(4-溴苯基)乙胺1-(4-bromophenyl)ethan-1-amine(±)-p-Bromo-alpha-methylbenzylamine

IUPAC name

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

IUPAC Traditional name

1-(4-bromophenyl)ethanamine

Names and Identifiers

Registration numbers

CAS Number

24358-62-145791-36-4

PubChem SID

16206222124849403

PubChem CID

91175