ethyl[(3-methoxyphenyl)methyl]amine

• ChemBase ID: 310934
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1c(OC)cccc1CNCC
• Canonical SMILES: CCNCc1cccc(c1)OC
• InChI: InChI=1S/C10H15NO/c1-3-11-8-9-5-4-6-10(7-9)12-2/h4-7,11H,3,8H2,1-2H3
• InChIKey: UJJCCNDLJXEMPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(3-methoxyphenyl)methyl]amine
• IUPAC Traditional name: ethyl[(3-methoxyphenyl)methyl]amine
• Synonyms: N-(3-methoxybenzyl)ethanamine

Database IDs

• CAS Number: 140715-61-3
• MDL Number: MFCD07405846

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.455642
• LogD (pH = 7.4): -0.43967977
• Log P: 1.7307314
• Molar Refractivity: 50.5178 cm^3
• Polarizability: 19.912888 Å^3
• Polar Surface Area: 21.26 Å^2