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

• ChemBase ID: 312305
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C(=C\CNCC)/c1ccccc1
• Canonical SMILES: CCNC/C=C/c1ccccc1
• InChI: InChI=1S/C11H15N/c1-2-12-10-6-9-11-7-4-3-5-8-11/h3-9,12H,2,10H2,1H3/b9-6+
• InChIKey: DIMUXHUOCLCTEV-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 188049-29-8
• MDL Number: MFCD07405015

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.67755646
• LogD (pH = 7.4): 0.4015655
• Log P: 2.4983182
• Molar Refractivity: 54.3732 cm^3
• Polarizability: 20.991903 Å^3
• Polar Surface Area: 12.03 Å^2