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

• ChemBase ID: 312602
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C(=C\CNCC(C)C)/c1ccccc1
• Canonical SMILES: CC(CNC/C=C/c1ccccc1)C
• InChI: InChI=1S/C13H19N/c1-12(2)11-14-10-6-9-13-7-4-3-5-8-13/h3-9,12,14H,10-11H2,1-2H3/b9-6+
• InChIKey: PMBUEBBTUPUBQW-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 144608-94-6
• MDL Number: MFCD07405369

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1822279
• LogD (pH = 7.4): 1.0639142
• Log P: 3.3858135
• Molar Refractivity: 63.3688 cm^3
• Polarizability: 24.68514 Å^3
• Polar Surface Area: 12.03 Å^2