[(5-ethylpyridin-2-yl)methyl](methyl)[(2S)-2-phenylbutyl]amine

• ChemBase ID: 548738
• Molecular Formular: C19H26N2
• Molecular Mass: 282.42314
• Monoisotopic Mass: 282.20959884
• SMILES: n1c(CN(C[C@H](c2ccccc2)CC)C)ccc(c1)CC
• Canonical SMILES: CC[C@@H](c1ccccc1)CN(Cc1ccc(cn1)CC)C
• InChI: InChI=1S/C19H26N2/c1-4-16-11-12-19(20-13-16)15-21(3)14-17(5-2)18-9-7-6-8-10-18/h6-13,17H,4-5,14-15H2,1-3H3/t17-/m1/s1
• InChIKey: FQBYLBDBKAGNTF-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-ethylpyridin-2-yl)methyl](methyl)[(2S)-2-phenylbutyl]amine
• IUPAC Traditional name: [(5-ethylpyridin-2-yl)methyl](methyl)[(2S)-2-phenylbutyl]amine
• Synonyms: (2S)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-phenyl-1-butanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7479005
• LogD (pH = 7.4): 3.5088964
• Log P: 4.559108
• Molar Refractivity: 90.004 cm^3
• Polarizability: 35.208115 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.53
• LOG S: -2.82
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 7