3-{[(furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amino]methyl}-N-methylpyridin-2-amine

• ChemBase ID: 522002
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: c1(c(nccc1)NC)CN(Cc1occc1)CCN1CCOCC1
• Canonical SMILES: CNc1ncccc1CN(Cc1ccco1)CCN1CCOCC1
• InChI: InChI=1S/C18H26N4O2/c1-19-18-16(4-2-6-20-18)14-22(15-17-5-3-11-24-17)8-7-21-9-12-23-13-10-21/h2-6,11H,7-10,12-15H2,1H3,(H,19,20)
• InChIKey: YNWKEKSIZCBQOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amino]methyl}-N-methylpyridin-2-amine
• IUPAC Traditional name: 3-{[(furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amino]methyl}-N-methylpyridin-2-amine
• Synonyms: 3-{[(2-furylmethyl)(2-morpholin-4-ylethyl)amino]methyl}-N-methylpyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.68095756
• LogD (pH = 7.4): 1.0442082
• Log P: 1.3490696
• Molar Refractivity: 97.0482 cm^3
• Polarizability: 36.61153 Å^3
• Polar Surface Area: 53.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.28
• LOG S: -2.55
• Polar Surface Area: 53.77 Å^2
• Rotatable Bonds: 8