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

• ChemBase ID: 312471
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C(=C)CNCc1cc(OC)ccc1
• Canonical SMILES: C=CCNCc1cccc(c1)OC
• InChI: InChI=1S/C11H15NO/c1-3-7-12-9-10-5-4-6-11(8-10)13-2/h3-6,8,12H,1,7,9H2,2H3
• InChIKey: BSQKVHKXGOEWBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methoxyphenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(3-methoxyphenyl)methyl](prop-2-en-1-yl)amine
• Synonyms: N-(3-methoxybenzyl)-2-propen-1-amine

Database IDs

• CAS Number: 110841-68-4
• MDL Number: MFCD07406326

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.91864955
• LogD (pH = 7.4): 0.5738564
• Log P: 2.105173
• Molar Refractivity: 54.9319 cm^3
• Polarizability: 21.525223 Å^3
• Polar Surface Area: 21.26 Å^2