methyl({[4-(prop-2-en-1-yloxy)phenyl]methyl})amine

• ChemBase ID: 233120
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C(=C)COc1ccc(cc1)CNC
• Canonical SMILES: CNCc1ccc(cc1)OCC=C
• InChI: InChI=1S/C11H15NO/c1-3-8-13-11-6-4-10(5-7-11)9-12-2/h3-7,12H,1,8-9H2,2H3
• InChIKey: PSJUMJLTCQABFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[4-(prop-2-en-1-yloxy)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[4-(prop-2-en-1-yloxy)phenyl]methyl})amine
• Synonyms: N-[4-(allyloxy)benzyl]-N-methylamine

Database IDs

• CAS Number: 91245-89-5
• MDL Number: MFCD04635438
• PubChem SID: 164289030
• PubChem CID: 2440511

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0794345
• LogD (pH = 7.4): -0.05206123
• Log P: 2.105173
• Molar Refractivity: 54.9319 cm^3
• Polarizability: 21.52479 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.203

Product Information

• Purity: 95%