[1-(3-methoxyphenyl)ethyl](methyl)amine

• ChemBase ID: 306821
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(cc(OC)ccc1)C(NC)C
• Canonical SMILES: CNC(c1cccc(c1)OC)C
• InChI: InChI=1S/C10H15NO/c1-8(11-2)9-5-4-6-10(7-9)12-3/h4-8,11H,1-3H3
• InChIKey: QZEPBVRIPQSJDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-methoxyphenyl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(3-methoxyphenyl)ethyl](methyl)amine
• Synonyms: 1-(3-methoxyphenyl)-N-methylethanamine

Database IDs

• CAS Number: 438245-97-7
• MDL Number: MFCD08060584

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3961977
• LogD (pH = 7.4): -0.38235974
• Log P: 1.7904984
• Molar Refractivity: 50.188 cm^3
• Polarizability: 19.912436 Å^3
• Polar Surface Area: 21.26 Å^2