benzyl(3-methoxypropyl)amine

• ChemBase ID: 306793
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: N(CCCOC)Cc1ccccc1
• Canonical SMILES: COCCCNCc1ccccc1
• InChI: InChI=1S/C11H17NO/c1-13-9-5-8-12-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
• InChIKey: KMHCMZJAEZLRSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(3-methoxypropyl)amine
• IUPAC Traditional name: benzyl(3-methoxypropyl)amine
• Synonyms: N-benzyl-3-methoxypropan-1-amine

Database IDs

• CAS Number: 32857-21-9
• MDL Number: MFCD05863662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6543776
• LogD (pH = 7.4): -0.73168695
• Log P: 1.5445789
• Molar Refractivity: 55.2149 cm^3
• Polarizability: 21.776808 Å^3
• Polar Surface Area: 21.26 Å^2