CAS 41851-59-6|CAS 22038-86-4|(1R)-1-(4-Methoxyphenyl)ethylamine|(R)-4-Methoxy-alpha-methylbenzylamine|(1S)-1-(4-methoxyphenyl)ethan-1-amine|(1S)-1-(4-methoxyphenyl)ethanamine|(S)-(-)-1-(4-Methoxyph...

General Information

Structure

Molecular Formula

C₉H₁₃NO

Molecular Mass

151.20562

Exact Mass

151.09971404

Charge

InChI

InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/m0/s1

InChIKey

JTDGKQNNPKXKII-ZETCQYMHSA-N

Canonic Smiles

COc1ccc(cc1)[C@@H](N)C

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.6481385

LogD (pH = 7.4)

-0.89107513

Log P

1.357918

Molar Refractivity

45.4134

Polarizability

18.066288

Polar Surface Area

35.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(R)-4-Methoxy-alpha-methylbenzylamine(1R)-1-(4-Methoxyphenyl)ethylamine(S)-(-)-1-(4-Methoxyphenyl)ethylamine(S)-(-)-4-Methoxy-α-methylbenzylamine(S)-(-)-1-(4-甲氧基苯基)乙胺(S)-(-)-1-(4-Methoxyphenyl)ethylamine(S)-(-)-4-甲氧基-α-甲基苄胺(S)-1-(4-Methoxyphenyl)ethanamine(S)-(-)-1-(4-Methoxyphenyl)ethylamine(S)-(-)-1-(4-甲氧苯基)乙胺(S)-p-Methoxy-alpha-methylbenzylamine

IUPAC name

(1S)-1-(4-methoxyphenyl)ethan-1-amine

IUPAC Traditional name

(1S)-1-(4-methoxyphenyl)ethanamine

Names and Identifiers

Registration numbers

CAS Number

41851-59-622038-86-4

MDL Number

MFCD00671660

Beilstein Number

3196456