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

• ChemBase ID: 306816
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1c(OC)cccc1CNCCCOC
• Canonical SMILES: COCCCNCc1cccc(c1)OC
• InChI: InChI=1S/C12H19NO2/c1-14-8-4-7-13-10-11-5-3-6-12(9-11)15-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3
• InChIKey: BBNSSLNZQBQSIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 884497-44-3
• MDL Number: MFCD05863674

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7944062
• LogD (pH = 7.4): -0.7466445
• Log P: 1.3869076
• Molar Refractivity: 61.6781 cm^3
• Polarizability: 24.271587 Å^3
• Polar Surface Area: 30.49 Å^2