(oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 13274
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1cnc(cc1)CNCC1OCCC1
• Canonical SMILES: C1COC(C1)CNCc1ccccn1
• InChI: InChI=1S/C11H16N2O/c1-2-6-13-10(4-1)8-12-9-11-5-3-7-14-11/h1-2,4,6,11-12H,3,5,7-9H2
• InChIKey: LZSTUWDAHPXEHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: (oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine
• Synonyms: (pyridin-2-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine; Pyridin-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine

Database IDs

• CAS Number: 202199-02-8
• MDL Number: MFCD03001389
• PubChem SID: 160976581
• PubChem CID: 3150971

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.696961
• LogD (pH = 7.4): 0.03686185
• Log P: 0.81398314
• Molar Refractivity: 54.8816 cm^3
• Polarizability: 21.966154 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false