benzyl[2-(oxan-2-yloxy)ethyl]amine

• ChemBase ID: 161399
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: O1CCCCC1OCCNCc1ccccc1
• Canonical SMILES: C(NCc1ccccc1)COC1CCCCO1
• InChI: InChI=1S/C14H21NO2/c1-2-6-13(7-3-1)12-15-9-11-17-14-8-4-5-10-16-14/h1-3,6-7,14-15H,4-5,8-12H2
• InChIKey: YUUJCVDCOIEXHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(oxan-2-yloxy)ethyl]amine
• IUPAC Traditional name: benzyl[2-(oxan-2-yloxy)ethyl]amine
• Synonyms: N-[2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]benzenemethanamine; 2-(Benzylaminoethoxy)tetrahydropyran

Database IDs

• CAS Number: 390401-24-8
• PubChem SID: 162255534
• PubChem CID: 17908831

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.69749
• LogD (pH = 7.4): 0.6936588
• Log P: 2.3851864
• Molar Refractivity: 68.383 cm^3
• Polarizability: 27.243837 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B225650

A tetrahydropyran derivative used in the preparation of potential cb1 antagonists.