[1-(4-ethoxyphenyl)ethyl](methyl)amine

• ChemBase ID: 311099
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(ccc(cc1)OCC)C(NC)C
• Canonical SMILES: CCOc1ccc(cc1)C(NC)C
• InChI: InChI=1S/C11H17NO/c1-4-13-11-7-5-10(6-8-11)9(2)12-3/h5-9,12H,4H2,1-3H3
• InChIKey: VRTFABGAXGIWJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-ethoxyphenyl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(4-ethoxyphenyl)ethyl](methyl)amine
• Synonyms: 1-(4-ethoxyphenyl)-N-methylethanamine

Database IDs

• CAS Number: 842955-24-2
• MDL Number: MFCD01123263

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0472546
• LogD (pH = 7.4): -0.08930745
• Log P: 2.1473064
• Molar Refractivity: 54.9366 cm^3
• Polarizability: 21.75852 Å^3
• Polar Surface Area: 21.26 Å^2