4-[2-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine

• ChemBase ID: 384038
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: c1(c(c2cc(ncc2)N)cccc1)CN1CCOCC1
• Canonical SMILES: Nc1nccc(c1)c1ccccc1CN1CCOCC1
• InChI: InChI=1S/C16H19N3O/c17-16-11-13(5-6-18-16)15-4-2-1-3-14(15)12-19-7-9-20-10-8-19/h1-6,11H,7-10,12H2,(H2,17,18)
• InChIKey: BOYCAEQFIJMALZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
• IUPAC Traditional name: 4-[2-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
• Synonyms: 4-[2-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6181033
• LogD (pH = 7.4): 1.5643328
• Log P: 1.8912266
• Molar Refractivity: 81.6684 cm^3
• Polarizability: 32.25488 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: 1.65
• LOG S: -1.57
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 3