(furan-2-ylmethyl)[(4-methyloxan-4-yl)methyl](pyridin-2-ylmethyl)amine

• ChemBase ID: 476102
• Molecular Formular: C18H24N2O2
• Molecular Mass: 300.39536
• Monoisotopic Mass: 300.18377802
• SMILES: N(Cc1occc1)(CC1(CCOCC1)C)Cc1ncccc1
• Canonical SMILES: CC1(CCOCC1)CN(Cc1ccco1)Cc1ccccn1
• InChI: InChI=1S/C18H24N2O2/c1-18(7-11-21-12-8-18)15-20(14-17-6-4-10-22-17)13-16-5-2-3-9-19-16/h2-6,9-10H,7-8,11-15H2,1H3
• InChIKey: PJQVUPCCJGZVJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[(4-methyloxan-4-yl)methyl](pyridin-2-ylmethyl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)[(4-methyloxan-4-yl)methyl](pyridin-2-ylmethyl)amine
• Synonyms: (2-furylmethyl)[(4-methyltetrahydro-2H-pyran-4-yl)methyl](pyridin-2-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.36285022
• LogD (pH = 7.4): 2.0035129
• Log P: 2.3629496
• Molar Refractivity: 86.6167 cm^3
• Polarizability: 33.94644 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.49
• LOG S: -1.21
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6