CAS 24358-43-8|CAS 126991-60-4|1-(3-Chlorophenyl)-1-ethanamine|1-(3-Chlorophenyl)ethanamine|1-(3-chlorophenyl)ethanamine|1-(3-Chlorophenyl)ethanamine|1-(3-chlorophenyl)ethan-1-amine|3-Chloro-α-meth...

General Information

Structure

Molecular Formula

C₈H₁₀ClN

Molecular Mass

155.6247

Exact Mass

155.05017701

Charge

InChI

InChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3

InChIKey

DQEYVZASLGNODG-UHFFFAOYSA-N

Canonic Smiles

Clc1cccc(c1)C(N)C

Isomeric Smiles

c1(cc(Cl)ccc1)C(N)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.878419

LogD (pH = 7.4)

-0.030464618

Log P

2.119634

Molar Refractivity

43.755

Polarizability

17.395363

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-(3-Chlorophenyl)ethylamine1-(3-Chlorophenyl)ethanamine1-(3-Chlorophenyl)ethanaminem-Chloro-α-methylbenzylamine3-Chloro-α-methylbenzenemethanamine1-(3-Chlorophenyl)-1-ethanamine8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene4-(4-Chlorophenyl)cyclohex-3-ene-1-one Ethylene Ketal

IUPAC Traditional name

1-(3-chlorophenyl)ethanamine

IUPAC name

1-(3-chlorophenyl)ethan-1-amine

Names and Identifiers

Registration numbers

CAS Number

24358-43-8126991-60-4

MDL Number

MFCD05215231

PubChem SID

160990157