[2-(3-methoxyphenyl)ethyl](methyl)amine hydrochloride

• ChemBase ID: 813542
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: Cl.N(C)CCc1cc(ccc1)OC
• Canonical SMILES: CNCCc1cccc(c1)OC.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-11-7-6-9-4-3-5-10(8-9)12-2;/h3-5,8,11H,6-7H2,1-2H3;1H
• InChIKey: QKPAAFDJAXRXHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-methoxyphenyl)ethyl](methyl)amine hydrochloride
• IUPAC Traditional name: [2-(3-methoxyphenyl)ethyl](methyl)amine hydrochloride
• Synonyms: [2-(3-METHOXY-PHENYL)-ETHYL]-METHYL-AMINE HYDROCHLORIDE

Database IDs

• CAS Number: 53102-69-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5597688
• LogD (pH = 7.4): -0.9099005
• Log P: 1.6625845
• Molar Refractivity: 50.5242 cm^3
• Polarizability: 19.836226 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%