methyl({[3-(prop-2-en-1-yloxy)phenyl]methyl})amine

• ChemBase ID: 312412
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C(=C)COc1cc(CNC)ccc1
• Canonical SMILES: CNCc1cccc(c1)OCC=C
• InChI: InChI=1S/C11H15NO/c1-3-7-13-11-6-4-5-10(8-11)9-12-2/h3-6,8,12H,1,7,9H2,2H3
• InChIKey: WJUMHDULZXVUPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(prop-2-en-1-yloxy)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[3-(prop-2-en-1-yloxy)phenyl]methyl})amine
• Synonyms: 1-[3-(allyloxy)phenyl]-N-methylmethanamine

Database IDs

• CAS Number: 869941-97-9
• MDL Number: MFCD04482306

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0698111
• LogD (pH = 7.4): 0.01419577
• Log P: 2.105173
• Molar Refractivity: 54.9319 cm^3
• Polarizability: 21.524822 Å^3
• Polar Surface Area: 21.26 Å^2