[(2,5-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine

• ChemBase ID: 310873
• Molecular Formular: C17H21NO3
• Molecular Mass: 287.35354
• Monoisotopic Mass: 287.15214354
• SMILES: c1(c(ccc(c1)OC)OC)CNCc1c(OC)cccc1
• Canonical SMILES: COc1ccc(c(c1)CNCc1ccccc1OC)OC
• InChI: InChI=1S/C17H21NO3/c1-19-15-8-9-17(21-3)14(10-15)12-18-11-13-6-4-5-7-16(13)20-2/h4-10,18H,11-12H2,1-3H3
• InChIKey: UJVBRUATNYJBHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,5-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [(2,5-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
• Synonyms: (2,5-dimethoxybenzyl)(2-methoxybenzyl)amine

Database IDs

• CAS Number: 356094-36-5
• MDL Number: MFCD01468725

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.49201313
• LogD (pH = 7.4): 2.2089431
• Log P: 2.7830539
• Molar Refractivity: 83.3082 cm^3
• Polarizability: 32.68123 Å^3
• Polar Surface Area: 39.72 Å^2