{[3-(4-fluorophenyl)oxolan-3-yl]methyl}(methyl)(thiophen-2-ylmethyl)amine

• ChemBase ID: 691476
• Molecular Formular: C17H20FNOS
• Molecular Mass: 305.4102032
• Monoisotopic Mass: 305.12496349
• SMILES: C1(c2ccc(cc2)F)(CN(Cc2sccc2)C)COCC1
• Canonical SMILES: CN(CC1(COCC1)c1ccc(cc1)F)Cc1cccs1
• InChI: InChI=1S/C17H20FNOS/c1-19(11-16-3-2-10-21-16)12-17(8-9-20-13-17)14-4-6-15(18)7-5-14/h2-7,10H,8-9,11-13H2,1H3
• InChIKey: LSBHSDZKPNDBSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(4-fluorophenyl)oxolan-3-yl]methyl}(methyl)(thiophen-2-ylmethyl)amine
• IUPAC Traditional name: {[3-(4-fluorophenyl)oxolan-3-yl]methyl}(methyl)(thiophen-2-ylmethyl)amine
• Synonyms: 1-[3-(4-fluorophenyl)tetrahydro-3-furanyl]-N-methyl-N-(2-thienylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.30694205
• LogD (pH = 7.4): 1.7659113
• Log P: 3.6151564
• Molar Refractivity: 84.7386 cm^3
• Polarizability: 32.525272 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.15
• LOG S: -3.1
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 5