[(3-fluoro-4-methoxyphenyl)methyl](methyl)(oxan-4-ylmethyl)amine

• ChemBase ID: 865747
• Molecular Formular: C15H22FNO2
• Molecular Mass: 267.3390832
• Monoisotopic Mass: 267.16345717
• SMILES: c1(c(ccc(c1)CN(CC1CCOCC1)C)OC)F
• Canonical SMILES: COc1ccc(cc1F)CN(CC1CCOCC1)C
• InChI: InChI=1S/C15H22FNO2/c1-17(10-12-5-7-19-8-6-12)11-13-3-4-15(18-2)14(16)9-13/h3-4,9,12H,5-8,10-11H2,1-2H3
• InChIKey: CIURYDKFZPMHIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-fluoro-4-methoxyphenyl)methyl](methyl)(oxan-4-ylmethyl)amine
• IUPAC Traditional name: [(3-fluoro-4-methoxyphenyl)methyl](methyl)(oxan-4-ylmethyl)amine
• Synonyms: (3-fluoro-4-methoxybenzyl)methyl(tetrahydro-2H-pyran-4-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0016578
• LogD (pH = 7.4): 0.4309114
• Log P: 2.32146
• Molar Refractivity: 74.5738 cm^3
• Polarizability: 28.72135 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.33
• LOG S: -2.13
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5