2-[2-(morpholin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinoline

• ChemBase ID: 789440
• Molecular Formular: C20H24N2O
• Molecular Mass: 308.41736
• Monoisotopic Mass: 308.1888634
• SMILES: n1c(c2c(CN3CCOCC3)cccc2)ccc2c1CCCC2
• Canonical SMILES: O1CCN(CC1)Cc1ccccc1c1ccc2c(n1)CCCC2
• InChI: InChI=1S/C20H24N2O/c1-3-7-18(17(6-1)15-22-11-13-23-14-12-22)20-10-9-16-5-2-4-8-19(16)21-20/h1,3,6-7,9-10H,2,4-5,8,11-15H2
• InChIKey: NTVMGFWMPYBEMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(morpholin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinoline
• IUPAC Traditional name: 2-[2-(morpholin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinoline
• Synonyms: 2-[2-(morpholin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1007116
• LogD (pH = 7.4): 3.614146
• Log P: 3.8377156
• Molar Refractivity: 93.3409 cm^3
• Polarizability: 37.6267 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.27
• LOG S: -3.23
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3