(2-methoxyethyl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 260780
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: n1c(CNCCOC)cccc1
• Canonical SMILES: COCCNCc1ccccn1
• InChI: InChI=1S/C9H14N2O/c1-12-7-6-10-8-9-4-2-3-5-11-9/h2-5,10H,6-8H2,1H3
• InChIKey: IMHLUDNQZHMEKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(pyridin-2-ylmethyl)amine
• Synonyms: (2-methoxyethyl)(2-pyridinylmethyl)amine; (2-methoxyethyl)(pyridin-2-ylmethyl)amine

Database IDs

• CAS Number: 62402-19-1
• MDL Number: MFCD07352655
• PubChem SID: 164316690
• PubChem CID: 4723821

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9875818
• LogD (pH = 7.4): -0.26406208
• Log P: 0.3484186
• Molar Refractivity: 47.6704 cm^3
• Polarizability: 19.01111 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.044

Product Information

• Purity: 95%