(2,2-diphenylethyl)(methyl)[1-(pyrimidin-4-yl)ethyl]amine

• ChemBase ID: 354785
• Molecular Formular: C21H23N3
• Molecular Mass: 317.42742
• Monoisotopic Mass: 317.18919775
• SMILES: C(N(C(c1ncncc1)C)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(N(CC(c1ccccc1)c1ccccc1)C)c1ccncn1
• InChI: InChI=1S/C21H23N3/c1-17(21-13-14-22-16-23-21)24(2)15-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,16-17,20H,15H2,1-2H3
• InChIKey: VRQQISIYANVXLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-diphenylethyl)(methyl)[1-(pyrimidin-4-yl)ethyl]amine
• IUPAC Traditional name: (2,2-diphenylethyl)(methyl)[1-(pyrimidin-4-yl)ethyl]amine
• Synonyms: (2,2-diphenylethyl)methyl(1-pyrimidin-4-ylethyl)amine

CALCULATED PROPERTIES

JChem

• Log P: 4.1532793
• Molar Refractivity: 99.1709 cm^3
• Polarizability: 38.45181 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5233866
• LogD (pH = 7.4): 3.2975

供应商提供(Chembridge)

• Log P: 3.4
• LOG S: -3.41
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0