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

• ChemBase ID: 307328
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(ccc(cc1)CNCCC)OC
• Canonical SMILES: CCCNCc1ccc(cc1)OC
• InChI: InChI=1S/C11H17NO/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
• InChIKey: NCOFJPJEQIGDEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl](propyl)amine
• IUPAC Traditional name: [(4-methoxyphenyl)methyl](propyl)amine
• Synonyms: (4-methoxybenzyl)propylamine

Database IDs

• CAS Number: 90390-02-6
• MDL Number: MFCD07405982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.95414716
• LogD (pH = 7.4): -0.10985084
• Log P: 2.2532537
• Molar Refractivity: 55.0418 cm^3
• Polarizability: 21.759144 Å^3
• Polar Surface Area: 21.26 Å^2