[(4-fluorophenyl)methyl](pyridin-2-ylmethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 723737
• Molecular Formular: C19H18FN3
• Molecular Mass: 307.3647232
• Monoisotopic Mass: 307.14847581
• SMILES: N(Cc1ncccc1)(Cc1ccc(F)cc1)Cc1ccncc1
• Canonical SMILES: Fc1ccc(cc1)CN(Cc1ccccn1)Cc1ccncc1
• InChI: InChI=1S/C19H18FN3/c20-18-6-4-16(5-7-18)13-23(14-17-8-11-21-12-9-17)15-19-3-1-2-10-22-19/h1-12H,13-15H2
• InChIKey: ISMUGIPFHOXXLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl](pyridin-2-ylmethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl](pyridin-2-ylmethyl)(pyridin-4-ylmethyl)amine
• Synonyms: (4-fluorobenzyl)(pyridin-2-ylmethyl)(pyridin-4-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.14711
• LogD (pH = 7.4): 3.105117
• Log P: 3.152418
• Molar Refractivity: 89.2063 cm^3
• Polarizability: 34.41563 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.56
• LOG S: -1.32
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 6