CAS 403-40-7|1-(4-fluorophenyl)ethan-1-amine|1-(4-Fluorophenyl)ethanamine|1-(4-fluorophenyl)ethanamine|1-(4-Fluorophenyl)ethylamine|4-Fluoro-α-methylbenzylamine|4-氟-α-甲基苄胺|1-(4-Fluorophenyl)e...

General Information

Structure

Molecular Formula

C₈H₁₀FN

Molecular Mass

139.1701032

Exact Mass

139.07972755

Charge

InChI

InChI=1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3

InChIKey

QGCLEUGNYRXBMZ-UHFFFAOYSA-N

Canonic Smiles

CC(c1ccc(cc1)F)N

Isomeric Smiles

c1(ccc(cc1)F)C(N)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3438475

LogD (pH = 7.4)

-0.53967154

Log P

1.6582912

Molar Refractivity

39.1666

Polarizability

15.18051

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(4-fluorophenyl)ethanamine

Synonyms

1-(4-Fluorophenyl)ethanamine1-(4-Fluorophenyl)ethylamine4-Fluoro-α-methylbenzylamine4-氟-α-甲基苄胺1-(4-Fluorophenyl)ethylamine4-Fluoro-alpha-methylbenzylamine 97%(+/-)-4-Fluoro-alpha-methylbenzylamine(±)-1-(4-Fluorophenyl)ethylamine(±)-1-(4-氟苯基)氨基乙烷

IUPAC name

1-(4-fluorophenyl)ethan-1-amine

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

EC Number