[(2-methoxyphenyl)methyl](prop-2-en-1-yl)amine

• ChemBase ID: 312484
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1(c(OC)cccc1)CNCC=C
• Canonical SMILES: C=CCNCc1ccccc1OC
• InChI: InChI=1S/C11H15NO/c1-3-8-12-9-10-6-4-5-7-11(10)13-2/h3-7,12H,1,8-9H2,2H3
• InChIKey: WKCUGNKUUPQOID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(2-methoxyphenyl)methyl](prop-2-en-1-yl)amine
• Synonyms: N-(2-methoxybenzyl)-2-propen-1-amine

Database IDs

• CAS Number: 243462-39-7
• MDL Number: MFCD07410221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.67275196
• LogD (pH = 7.4): 1.0117942
• Log P: 2.105173
• Molar Refractivity: 54.9319 cm^3
• Polarizability: 21.52544 Å^3
• Polar Surface Area: 21.26 Å^2