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

• ChemBase ID: 310920
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: N(Cc1cc(OC)ccc1)C(COC)C
• Canonical SMILES: COCC(NCc1cccc(c1)OC)C
• InChI: InChI=1S/C12H19NO2/c1-10(9-14-2)13-8-11-5-4-6-12(7-11)15-3/h4-7,10,13H,8-9H2,1-3H3
• InChIKey: RPSBMRKZOPGLSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 418777-08-9
• MDL Number: MFCD01454610

CALCULATED PROPERTIES

• Polar Surface Area: 30.49 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3183594
• LogD (pH = 7.4): 0.11333076
• Log P: 1.7435229
• Molar Refractivity: 61.2315 cm^3
• Polarizability: 24.271585 Å^3