[2-(4-methoxyphenyl)ethyl](methyl)amine

• ChemBase ID: 816226
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(C)CCc1ccc(cc1)OC
• Canonical SMILES: CNCCc1ccc(cc1)OC
• InChI: InChI=1S/C10H15NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3-6,11H,7-8H2,1-2H3
• InChIKey: JCMWSVNNSPUNER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methoxyphenyl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(4-methoxyphenyl)ethyl](methyl)amine
• Synonyms: [2-(4-METHOXY-PHENYL)-ETHYL]-METHYL-AMINE

Database IDs

• CAS Number: 4091-50-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.561385
• LogD (pH = 7.4): -0.9394663
• Log P: 1.6625845
• Molar Refractivity: 50.5242 cm^3
• Polarizability: 19.835567 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%