benzyl[2-(2,6-dimethoxyphenoxy)ethyl]amine

• ChemBase ID: 311942
• Molecular Formular: C17H21NO3
• Molecular Mass: 287.35354
• Monoisotopic Mass: 287.15214354
• SMILES: c1(c(OC)cccc1OC)OCCNCc1ccccc1
• Canonical SMILES: COc1cccc(c1OCCNCc1ccccc1)OC
• InChI: InChI=1S/C17H21NO3/c1-19-15-9-6-10-16(20-2)17(15)21-12-11-18-13-14-7-4-3-5-8-14/h3-10,18H,11-13H2,1-2H3
• InChIKey: UHCZGEARJQQIHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(2,6-dimethoxyphenoxy)ethyl]amine
• IUPAC Traditional name: benzyl[2-(2,6-dimethoxyphenoxy)ethyl]amine
• Synonyms: N-benzyl-2-(2,6-dimethoxyphenoxy)ethanamine

Database IDs

• CAS Number: 770703-33-8
• MDL Number: MFCD03993369

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.24405849
• LogD (pH = 7.4): 1.0973893
• Log P: 2.8603017
• Molar Refractivity: 82.7846 cm^3
• Polarizability: 32.690296 Å^3
• Polar Surface Area: 39.72 Å^2