[6-(2,5-dimethylphenoxy)pyridin-3-yl]methanamine

• ChemBase ID: 258284
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: c1(Oc2ncc(cc2)CN)c(ccc(c1)C)C
• Canonical SMILES: NCc1ccc(nc1)Oc1cc(C)ccc1C
• InChI: InChI=1S/C14H16N2O/c1-10-3-4-11(2)13(7-10)17-14-6-5-12(8-15)9-16-14/h3-7,9H,8,15H2,1-2H3
• InChIKey: SOXVQJKTEITLAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2,5-dimethylphenoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(2,5-dimethylphenoxy)pyridin-3-yl]methanamine
• Synonyms: [6-(2,5-dimethylphenoxy)pyridin-3-yl]methylamine

Database IDs

• MDL Number: MFCD09739534
• PubChem SID: 164314194
• PubChem CID: 16792729

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.06537449
• LogD (pH = 7.4): 1.2753136
• Log P: 3.0029292
• Molar Refractivity: 69.0112 cm^3
• Polarizability: 26.672274 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.693

Product Information

• Purity: 95%