[(2-methoxyphenyl)methyl](3-methoxypropyl)amine

• ChemBase ID: 306818
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1(c(OC)cccc1)CNCCCOC
• Canonical SMILES: COCCCNCc1ccccc1OC
• InChI: InChI=1S/C12H19NO2/c1-14-9-5-8-13-10-11-6-3-4-7-12(11)15-2/h3-4,6-7,13H,5,8-10H2,1-2H3
• InChIKey: FGXNVMYJKDGSOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl](3-methoxypropyl)amine
• IUPAC Traditional name: [(2-methoxyphenyl)methyl](3-methoxypropyl)amine
• Synonyms: (2-methoxybenzyl)(3-methoxypropyl)amine

Database IDs

• CAS Number: 52505-13-2
• MDL Number: MFCD05863678

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7081661
• LogD (pH = 7.4): -0.34437233
• Log P: 1.3869076
• Molar Refractivity: 61.6781 cm^3
• Polarizability: 24.2718 Å^3
• Polar Surface Area: 30.49 Å^2