4-[4-(1-methoxyethyl)phenyl]pyridin-3-amine

• ChemBase ID: 618429
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: c1(c2ccc(cc2)C(OC)C)c(N)cncc1
• Canonical SMILES: COC(c1ccc(cc1)c1ccncc1N)C
• InChI: InChI=1S/C14H16N2O/c1-10(17-2)11-3-5-12(6-4-11)13-7-8-16-9-14(13)15/h3-10H,15H2,1-2H3
• InChIKey: CRTRZJAPLQHNNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(1-methoxyethyl)phenyl]pyridin-3-amine
• IUPAC Traditional name: 4-[4-(1-methoxyethyl)phenyl]pyridin-3-amine
• Synonyms: 4-[4-(1-methoxyethyl)phenyl]pyridin-3-amine

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5376166
• LogD (pH = 7.4): 1.8591828
• Log P: 1.8662245
• Molar Refractivity: 69.7236 cm^3
• Polarizability: 27.781603 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.92
• LOG S: -2.51
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3