CAS 645-33-0|5-(2-aminoethyl)-2-methoxyphenol hydrochloride|3-Hydroxy-4-methoxyphenethylamine hydrochloride|5-(2-aminoethyl)-2-methoxyphenol hydrochloride|4-O-Methyldopamine hydrochloride|3-Hydroxy-...

General Information

Structure

Molecular Formula

C₉H₁₄ClNO₂

Molecular Mass

203.66596

Exact Mass

203.07130637

Charge

InChI

InChI=1S/C9H13NO2.ClH/c1-12-9-3-2-7(4-5-10)6-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H

InChIKey

KAAFITWSSODFMA-UHFFFAOYSA-N

Canonic Smiles

NCCc1ccc(c(c1)O)OC.Cl

Isomeric Smiles

Cl.c1c(c(cc(c1)CCN)O)OC

Calculated Properties

JChem

Acid pKa

10.24389

H Acceptors

H Donor

LogD (pH = 5.5)

-2.0819356

LogD (pH = 7.4)

-1.3564409

Log P

0.45220906

Molar Refractivity

47.7305

Polarizability

18.579702

Polar Surface Area

55.48

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

5-(2-aminoethyl)-2-methoxyphenol hydrochloride

Synonyms

3-Hydroxy-4-methoxyphenethylamine hydrochloride4-O-Methyldopamine hydrochloride3-Hydroxy-4-methoxyphenethylamine hydrochloride4-Methoxytyramine hydrochloride3-Hydroxy-4-methoxyphenethylamine hydrochloride4-METHOXY-3-HYDROXY-PHENETHYLAMINE5-(2-Aminoethyl)-2-methoxyphenol hydrochloride

IUPAC Traditional name

5-(2-aminoethyl)-2-methoxyphenol hydrochloride

Names and Identifiers

Registration numbers

MDL Number

EC Number

CAS Number

PubChem SID