benzyl[2-(4-methoxyphenoxy)ethyl]amine

• ChemBase ID: 311865
• Molecular Formular: C16H19NO2
• Molecular Mass: 257.32756
• Monoisotopic Mass: 257.14157885
• SMILES: c1(ccc(cc1)OCCNCc1ccccc1)OC
• Canonical SMILES: COc1ccc(cc1)OCCNCc1ccccc1
• InChI: InChI=1S/C16H19NO2/c1-18-15-7-9-16(10-8-15)19-12-11-17-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
• InChIKey: PQXVVWVAONGGBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(4-methoxyphenoxy)ethyl]amine
• IUPAC Traditional name: benzyl[2-(4-methoxyphenoxy)ethyl]amine
• Synonyms: N-benzyl-2-(4-methoxyphenoxy)ethanamine

Database IDs

• CAS Number: 55247-60-4
• MDL Number: MFCD05863716

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.10713951
• LogD (pH = 7.4): 1.1773756
• Log P: 3.017973
• Molar Refractivity: 76.3214 cm^3
• Polarizability: 30.186302 Å^3
• Polar Surface Area: 30.49 Å^2