2-(2-methylphenoxy)pyridin-3-amine

• ChemBase ID: 283082
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(Oc2c(C)cccc2)ncccc1N
• Canonical SMILES: Cc1ccccc1Oc1ncccc1N
• InChI: InChI=1S/C12H12N2O/c1-9-5-2-3-7-11(9)15-12-10(13)6-4-8-14-12/h2-8H,13H2,1H3
• InChIKey: MWNPOCWTPDHSKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09741496
• PubChem SID: 180668613
• PubChem CID: 16794669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.534521
• LogD (pH = 7.4): 2.5348098
• Log P: 2.5348136
• Molar Refractivity: 60.197 cm^3
• Polarizability: 22.67195 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.095

Product Information

• Purity: 95%