(2-methoxyethyl)[(3-methoxyphenyl)methyl]amine

• ChemBase ID: 306819
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1c(OC)cccc1CNCCOC
• Canonical SMILES: COCCNCc1cccc(c1)OC
• InChI: InChI=1S/C11H17NO2/c1-13-7-6-12-9-10-4-3-5-11(8-10)14-2/h3-5,8,12H,6-7,9H2,1-2H3
• InChIKey: SZCPVNOHLNRCEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(3-methoxyphenyl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(3-methoxyphenyl)methyl]amine
• Synonyms: (3-methoxybenzyl)(2-methoxyethyl)amine

Database IDs

• CAS Number: 827327-99-1
• MDL Number: MFCD05863679

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7028345
• LogD (pH = 7.4): -0.21889988
• Log P: 1.3269479
• Molar Refractivity: 56.8127 cm^3
• Polarizability: 22.427677 Å^3
• Polar Surface Area: 30.49 Å^2