(2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amine

• ChemBase ID: 312590
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C(=C\CNCCOC)/c1ccccc1
• Canonical SMILES: COCCNC/C=C/c1ccccc1
• InChI: InChI=1S/C12H17NO/c1-14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3/b8-5+
• InChIKey: WBCLIMQLSCPAIZ-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amine
• Synonyms: (2-methoxyethyl)(3-phenyl-2-propen-1-yl)amine

Database IDs

• CAS Number: 892569-72-1
• MDL Number: MFCD07408463

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.87118644
• LogD (pH = 7.4): 0.6908851
• Log P: 2.0945349
• Molar Refractivity: 60.6681 cm^3
• Polarizability: 23.468878 Å^3
• Polar Surface Area: 21.26 Å^2