5-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-2-methoxypyridine

• ChemBase ID: 454185
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: c1(c(cc(CN2CCCC2)cc1)OCC)Oc1cnc(cc1)OC
• Canonical SMILES: CCOc1cc(ccc1Oc1ccc(nc1)OC)CN1CCCC1
• InChI: InChI=1S/C19H24N2O3/c1-3-23-18-12-15(14-21-10-4-5-11-21)6-8-17(18)24-16-7-9-19(22-2)20-13-16/h6-9,12-13H,3-5,10-11,14H2,1-2H3
• InChIKey: RAPNLFIEHPTXII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-2-methoxypyridine
• IUPAC Traditional name: 5-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-2-methoxypyridine
• Synonyms: 5-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-2-methoxypyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.38095883
• LogD (pH = 7.4): 2.1358607
• Log P: 3.2389777
• Molar Refractivity: 94.2141 cm^3
• Polarizability: 36.639843 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.46
• LOG S: -2.69
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 7