benzyl(1-phenylbut-3-en-1-yl)amine

• ChemBase ID: 310742
• Molecular Formular: C17H19N
• Molecular Mass: 237.33946
• Monoisotopic Mass: 237.15174961
• SMILES: N(C(c1ccccc1)CC=C)Cc1ccccc1
• Canonical SMILES: C=CCC(c1ccccc1)NCc1ccccc1
• InChI: InChI=1S/C17H19N/c1-2-9-17(16-12-7-4-8-13-16)18-14-15-10-5-3-6-11-15/h2-8,10-13,17-18H,1,9,14H2
• InChIKey: LRPZBHSJWXDRER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(1-phenylbut-3-en-1-yl)amine
• IUPAC Traditional name: benzyl(1-phenylbut-3-en-1-yl)amine
• Synonyms: N-benzyl-1-phenylbut-3-en-1-amine

Database IDs

• CAS Number: 88381-98-0
• MDL Number: MFCD00757007

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2010281
• LogD (pH = 7.4): 2.455191
• Log P: 4.335746
• Molar Refractivity: 77.5065 cm^3
• Polarizability: 30.55533 Å^3
• Polar Surface Area: 12.03 Å^2