(1-methoxypropan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine

• ChemBase ID: 310908
• Molecular Formular: C14H23NO4
• Molecular Mass: 269.33672
• Monoisotopic Mass: 269.16270822
• SMILES: c1(c(c(CNC(COC)C)ccc1OC)OC)OC
• Canonical SMILES: COCC(NCc1ccc(c(c1OC)OC)OC)C
• InChI: InChI=1S/C14H23NO4/c1-10(9-16-2)15-8-11-6-7-12(17-3)14(19-5)13(11)18-4/h6-7,10,15H,8-9H2,1-5H3
• InChIKey: CTAIAXZIQQOWFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methoxypropan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine
• IUPAC Traditional name: (1-methoxypropan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine
• Synonyms: (2-methoxy-1-methylethyl)(2,3,4-trimethoxybenzyl)amine

Database IDs

• CAS Number: 356094-07-0
• MDL Number: MFCD01468868

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3096304
• LogD (pH = 7.4): 0.38911393
• Log P: 1.4281803
• Molar Refractivity: 74.1579 cm^3
• Polarizability: 29.311213 Å^3
• Polar Surface Area: 48.95 Å^2