methyl({2-[2-(prop-2-en-1-yl)phenoxy]ethyl})amine

• ChemBase ID: 312263
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1(c(CC=C)cccc1)OCCNC
• Canonical SMILES: CNCCOc1ccccc1CC=C
• InChI: InChI=1S/C12H17NO/c1-3-6-11-7-4-5-8-12(11)14-10-9-13-2/h3-5,7-8,13H,1,6,9-10H2,2H3
• InChIKey: BHPZRGLXNOJIKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({2-[2-(prop-2-en-1-yl)phenoxy]ethyl})amine
• IUPAC Traditional name: methyl({2-[2-(prop-2-en-1-yl)phenoxy]ethyl})amine
• Synonyms: 2-(2-allylphenoxy)-N-methylethanamine

Database IDs

• CAS Number: 57162-94-4
• MDL Number: MFCD08691874

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6235028
• LogD (pH = 7.4): 0.46986076
• Log P: 2.549742
• Molar Refractivity: 59.5329 cm^3
• Polarizability: 23.373446 Å^3
• Polar Surface Area: 21.26 Å^2