6-{4-[1-(morpholin-4-yl)ethyl]phenyl}pyridin-2-amine

• ChemBase ID: 695875
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: n1c(c2ccc(C(N3CCOCC3)C)cc2)cccc1N
• Canonical SMILES: CC(c1ccc(cc1)c1cccc(n1)N)N1CCOCC1
• InChI: InChI=1S/C17H21N3O/c1-13(20-9-11-21-12-10-20)14-5-7-15(8-6-14)16-3-2-4-17(18)19-16/h2-8,13H,9-12H2,1H3,(H2,18,19)
• InChIKey: VWUFGBNEAFAAHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{4-[1-(morpholin-4-yl)ethyl]phenyl}pyridin-2-amine
• IUPAC Traditional name: 6-{4-[1-(morpholin-4-yl)ethyl]phenyl}pyridin-2-amine
• Synonyms: 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.09129199
• LogD (pH = 7.4): 2.3417048
• Log P: 2.693652
• Molar Refractivity: 85.7152 cm^3
• Polarizability: 34.103817 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.47
• LOG S: -2.37
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 3