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

• ChemBase ID: 672745
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: c1(c2c(CN3CCOCC3)cccc2)cc(N)ccn1
• Canonical SMILES: Nc1ccnc(c1)c1ccccc1CN1CCOCC1
• InChI: InChI=1S/C16H19N3O/c17-14-5-6-18-16(11-14)15-4-2-1-3-13(15)12-19-7-9-20-10-8-19/h1-6,11H,7-10,12H2,(H2,17,18)
• InChIKey: BTYKVXOXGLQVSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1422971
• LogD (pH = 7.4): 1.2917564
• Log P: 1.6826195
• Molar Refractivity: 80.9829 cm^3
• Polarizability: 32.254753 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: 0.84
• LOG S: -0.87
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 3