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

• ChemBase ID: 312424
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(CNC)cccc1OC)OCC
• Canonical SMILES: CNCc1cccc(c1OCC)OC
• InChI: InChI=1S/C11H17NO2/c1-4-14-11-9(8-12-2)6-5-7-10(11)13-3/h5-7,12H,4,8H2,1-3H3
• InChIKey: SXIYABYASXZLFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 709649-59-2
• MDL Number: MFCD07405833

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4476768
• LogD (pH = 7.4): 0.04914556
• Log P: 1.57306
• Molar Refractivity: 56.981 cm^3
• Polarizability: 22.412489 Å^3
• Polar Surface Area: 30.49 Å^2