(4-{[2-(furan-2-yl)phenyl]methyl}morpholin-2-yl)methanamine

• ChemBase ID: 718909
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: N1(Cc2c(c3occc3)cccc2)CC(OCC1)CN
• Canonical SMILES: NCC1OCCN(C1)Cc1ccccc1c1ccco1
• InChI: InChI=1S/C16H20N2O2/c17-10-14-12-18(7-9-19-14)11-13-4-1-2-5-15(13)16-6-3-8-20-16/h1-6,8,14H,7,9-12,17H2
• InChIKey: OQSLRASUSCUMFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-{[2-(furan-2-yl)phenyl]methyl}morpholin-2-yl)methanamine
• IUPAC Traditional name: (4-{[2-(furan-2-yl)phenyl]methyl}morpholin-2-yl)methanamine
• Synonyms: ({4-[2-(2-furyl)benzyl]morpholin-2-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0963848
• LogD (pH = 7.4): -0.36829752
• Log P: 1.6663975
• Molar Refractivity: 78.8223 cm^3
• Polarizability: 32.23759 Å^3
• Polar Surface Area: 51.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.56
• LOG S: -1.51
• Polar Surface Area: 51.63 Å^2
• Rotatable Bonds: 4