3-methoxy-N,N-bis[(2E)-3-phenylprop-2-en-1-yl]aniline

• ChemBase ID: 162404
• Molecular Formular: C25H25NO
• Molecular Mass: 355.4721
• Monoisotopic Mass: 355.19361443
• SMILES: c1(cccc(c1)OC)N(C/C=C/c1ccccc1)C/C=C/c1ccccc1
• Canonical SMILES: COc1cccc(c1)N(C/C=C/c1ccccc1)C/C=C/c1ccccc1
• InChI: InChI=1S/C25H25NO/c1-27-25-18-8-17-24(21-25)26(19-9-15-22-11-4-2-5-12-22)20-10-16-23-13-6-3-7-14-23/h2-18,21H,19-20H2,1H3/b15-9+,16-10+
• InChIKey: LTTPOOFFLYDCED-KAVGSWPWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N,N-bis[(2E)-3-phenylprop-2-en-1-yl]aniline
• IUPAC Traditional name: 3-methoxy-N,N-bis[(2E)-3-phenylprop-2-en-1-yl]aniline
• Synonyms: 3-Methoxy-N,N-bis(3-phenyl-2-propen-1-yl)benzenamine; N,N-Bis-(3-phenyl-2-propenyl)-3-methoxyaniline

Database IDs

• CAS Number: 1076199-15-9
• PubChem SID: 162256539
• PubChem CID: 29974397

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.592219
• LogD (pH = 7.4): 6.592394
• Log P: 6.592396
• Molar Refractivity: 116.8122 cm^3
• Polarizability: 44.022316 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Viscous Orange Oil