(3-methoxypropyl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 13509
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: C(c1ccccn1)NCCCOC
• Canonical SMILES: COCCCNCc1ccccn1
• InChI: InChI=1S/C10H16N2O/c1-13-8-4-6-11-9-10-5-2-3-7-12-10/h2-3,5,7,11H,4,6,8-9H2,1H3
• InChIKey: JFILXRCRMWIJCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxypropyl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: (3-methoxypropyl)(pyridin-2-ylmethyl)amine
• Synonyms: 3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine; (3-Methoxy-propyl)-pyridin-2-ylmethyl-amine

Database IDs

• MDL Number: MFCD03725084
• PubChem SID: 160976816
• PubChem CID: 2772049

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4049852
• LogD (pH = 7.4): -0.7359831
• Log P: 0.40837833
• Molar Refractivity: 52.5358 cm^3
• Polarizability: 20.854944 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false