methyl[1-(4-phenylphenyl)-2-(pyrrolidin-1-yl)ethyl]amine

• ChemBase ID: 799834
• Molecular Formular: C19H24N2
• Molecular Mass: 280.40726
• Monoisotopic Mass: 280.19394878
• SMILES: N(C)C(CN1CCCC1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CNC(c1ccc(cc1)c1ccccc1)CN1CCCC1
• InChI: InChI=1S/C19H24N2/c1-20-19(15-21-13-5-6-14-21)18-11-9-17(10-12-18)16-7-3-2-4-8-16/h2-4,7-12,19-20H,5-6,13-15H2,1H3
• InChIKey: CFHKBGMDNLXECQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(4-phenylphenyl)-2-(pyrrolidin-1-yl)ethyl]amine
• IUPAC Traditional name: methyl[1-(4-phenylphenyl)-2-(pyrrolidin-1-yl)ethyl]amine
• Synonyms: (1-Biphenyl-4-yl-2-pyrrolidin-1-yl-ethyl)-methyl-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19470233
• LogD (pH = 7.4): 1.602978
• Log P: 3.663029
• Molar Refractivity: 89.6725 cm^3
• Polarizability: 36.682346 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%