6-(2-methoxy-4-methylphenoxy)pyridin-3-amine

• ChemBase ID: 257374
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c1(c(cc(cc1)C)OC)Oc1ncc(N)cc1
• Canonical SMILES: COc1cc(C)ccc1Oc1ccc(cn1)N
• InChI: InChI=1S/C13H14N2O2/c1-9-3-5-11(12(7-9)16-2)17-13-6-4-10(14)8-15-13/h3-8H,14H2,1-2H3
• InChIKey: BEJOVMLJXBGSSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxy-4-methylphenoxy)pyridin-3-amine
• IUPAC Traditional name: 6-(2-methoxy-4-methylphenoxy)pyridin-3-amine
• Synonyms: 6-(2-methoxy-4-methylphenoxy)pyridin-3-amine

Database IDs

• MDL Number: MFCD09812339
• PubChem SID: 164313284
• PubChem CID: 20116493

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3768697
• LogD (pH = 7.4): 2.3771389
• Log P: 2.3771422
• Molar Refractivity: 66.6602 cm^3
• Polarizability: 25.181229 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108°C
• Hydrophobicity(logP): 2.484

Product Information

• Purity: 95%