[2-(2-propoxyphenoxy)pyridin-3-yl]methanamine

• ChemBase ID: 259827
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: c1(Oc2c(OCCC)cccc2)c(CN)cccn1
• Canonical SMILES: CCCOc1ccccc1Oc1ncccc1CN
• InChI: InChI=1S/C15H18N2O2/c1-2-10-18-13-7-3-4-8-14(13)19-15-12(11-16)6-5-9-17-15/h3-9H,2,10-11,16H2,1H3
• InChIKey: SLHNXOSIKINPIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-propoxyphenoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2-(2-propoxyphenoxy)pyridin-3-yl]methanamine
• Synonyms: [2-(2-propoxyphenoxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09812425
• PubChem SID: 164315737
• PubChem CID: 20118071

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1464739
• LogD (pH = 7.4): 1.2943681
• Log P: 2.6977456
• Molar Refractivity: 74.6646 cm^3
• Polarizability: 29.330107 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.322

Product Information

• Purity: 95%