4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine

• ChemBase ID: 687726
• Molecular Formular: C20H22FNO2
• Molecular Mass: 327.3925832
• Monoisotopic Mass: 327.16345717
• SMILES: N1(Cc2cc3c(OCC3)cc2)CC(OCC1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CC1OCCN(C1)Cc1ccc2c(c1)CCO2
• InChI: InChI=1S/C20H22FNO2/c21-18-4-1-15(2-5-18)12-19-14-22(8-10-23-19)13-16-3-6-20-17(11-16)7-9-24-20/h1-6,11,19H,7-10,12-14H2
• InChIKey: FPGITSKMRLMPBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
• IUPAC Traditional name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
• Synonyms: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-fluorobenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.259584
• LogD (pH = 7.4): 3.6408536
• Log P: 3.7939627
• Molar Refractivity: 92.7022 cm^3
• Polarizability: 35.580505 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.17
• LOG S: -3.6
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4