[(2,3-dimethoxyphenyl)methyl](1-methoxypropan-2-yl)amine

• ChemBase ID: 310818
• Molecular Formular: C13H21NO3
• Molecular Mass: 239.31074
• Monoisotopic Mass: 239.15214354
• SMILES: c1(c(CNC(COC)C)cccc1OC)OC
• Canonical SMILES: COCC(NCc1cccc(c1OC)OC)C
• InChI: InChI=1S/C13H21NO3/c1-10(9-15-2)14-8-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3
• InChIKey: MSEUQISSMRSQFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-dimethoxyphenyl)methyl](1-methoxypropan-2-yl)amine
• IUPAC Traditional name: [(2,3-dimethoxyphenyl)methyl](1-methoxypropan-2-yl)amine
• Synonyms: (2,3-dimethoxybenzyl)(2-methoxy-1-methylethyl)amine

Database IDs

• CAS Number: 356090-87-4
• MDL Number: MFCD01468488

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1970415
• LogD (pH = 7.4): 0.48552847
• Log P: 1.5858517
• Molar Refractivity: 67.6947 cm^3
• Polarizability: 26.785606 Å^3
• Polar Surface Area: 39.72 Å^2