benzyl[3-(4-methoxyphenoxy)propyl]amine

• ChemBase ID: 311858
• Molecular Formular: C17H21NO2
• Molecular Mass: 271.35414
• Monoisotopic Mass: 271.15722892
• SMILES: c1(ccc(cc1)OCCCNCc1ccccc1)OC
• Canonical SMILES: COc1ccc(cc1)OCCCNCc1ccccc1
• InChI: InChI=1S/C17H21NO2/c1-19-16-8-10-17(11-9-16)20-13-5-12-18-14-15-6-3-2-4-7-15/h2-4,6-11,18H,5,12-14H2,1H3
• InChIKey: RIRYTXDKFVVHKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[3-(4-methoxyphenoxy)propyl]amine
• IUPAC Traditional name: benzyl[3-(4-methoxyphenoxy)propyl]amine
• Synonyms: N-benzyl-3-(4-methoxyphenoxy)propan-1-amine

Database IDs

• CAS Number: 433947-02-5
• MDL Number: MFCD05863715

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.097571716
• LogD (pH = 7.4): 0.98358953
• Log P: 3.0779328
• Molar Refractivity: 81.1868 cm^3
• Polarizability: 32.03216 Å^3
• Polar Surface Area: 30.49 Å^2