[1-(4-methoxyphenyl)propyl](methyl)amine

• ChemBase ID: 311762
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(ccc(cc1)OC)C(NC)CC
• Canonical SMILES: CCC(c1ccc(cc1)OC)NC
• InChI: InChI=1S/C11H17NO/c1-4-11(12-2)9-5-7-10(13-3)8-6-9/h5-8,11-12H,4H2,1-3H3
• InChIKey: UNXOGHQXFQRMTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methoxyphenyl)propyl](methyl)amine
• IUPAC Traditional name: [1-(4-methoxyphenyl)propyl](methyl)amine
• Synonyms: 1-(4-methoxyphenyl)-N-methylpropan-1-amine

Database IDs

• CAS Number: 40023-80-1
• MDL Number: MFCD00507857

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.89458644
• LogD (pH = 7.4): -0.05241808
• Log P: 2.3130207
• Molar Refractivity: 54.712 cm^3
• Polarizability: 21.758648 Å^3
• Polar Surface Area: 21.26 Å^2