N,N-dimethyl-2-[5-(morpholin-4-ylmethyl)pyridin-2-yl]aniline

• ChemBase ID: 541506
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: c1(c(N(C)C)cccc1)c1ncc(CN2CCOCC2)cc1
• Canonical SMILES: CN(c1ccccc1c1ccc(cn1)CN1CCOCC1)C
• InChI: InChI=1S/C18H23N3O/c1-20(2)18-6-4-3-5-16(18)17-8-7-15(13-19-17)14-21-9-11-22-12-10-21/h3-8,13H,9-12,14H2,1-2H3
• InChIKey: FNJWTXJGOCWKFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[5-(morpholin-4-ylmethyl)pyridin-2-yl]aniline
• IUPAC Traditional name: N,N-dimethyl-2-[5-(morpholin-4-ylmethyl)pyridin-2-yl]aniline
• Synonyms: N,N-dimethyl-2-[5-(morpholin-4-ylmethyl)pyridin-2-yl]aniline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3729026
• LogD (pH = 7.4): 2.5399745
• Log P: 2.6195893
• Molar Refractivity: 90.7111 cm^3
• Polarizability: 35.950035 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.7
• LOG S: -1.81
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4