[(2,3-dimethoxyphenyl)methyl](ethyl)amine

• ChemBase ID: 311072
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(CNCC)cccc1OC)OC
• Canonical SMILES: CCNCc1cccc(c1OC)OC
• InChI: InChI=1S/C11H17NO2/c1-4-12-8-9-6-5-7-10(13-2)11(9)14-3/h5-7,12H,4,8H2,1-3H3
• InChIKey: GHYNFIZMFFWMNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-dimethoxyphenyl)methyl](ethyl)amine
• IUPAC Traditional name: [(2,3-dimethoxyphenyl)methyl](ethyl)amine
• Synonyms: (2,3-dimethoxybenzyl)ethylamine

Database IDs

• CAS Number: 100054-84-0
• MDL Number: MFCD07405845

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4776824
• LogD (pH = 7.4): -0.026595231
• Log P: 1.57306
• Molar Refractivity: 56.981 cm^3
• Polarizability: 22.412645 Å^3
• Polar Surface Area: 30.49 Å^2