(2-propoxypyridin-3-yl)methanamine

• ChemBase ID: 264152
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: c1(c(CN)cccn1)OCCC
• Canonical SMILES: CCCOc1ncccc1CN
• InChI: InChI=1S/C9H14N2O/c1-2-6-12-9-8(7-10)4-3-5-11-9/h3-5H,2,6-7,10H2,1H3
• InChIKey: VCBKKULUQVXVMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-propoxypyridin-3-yl)methanamine
• IUPAC Traditional name: (2-propoxypyridin-3-yl)methanamine
• Synonyms: (2-propoxypyridin-3-yl)methanamine

Database IDs

• MDL Number: MFCD11619045
• PubChem SID: 164320062
• PubChem CID: 43247830

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5803087
• LogD (pH = 7.4): -0.049769778
• Log P: 1.1974584
• Molar Refractivity: 48.4238 cm^3
• Polarizability: 18.998043 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.475

Product Information

• Purity: 95%