2,2-dimethyl-N-(1-phenylethyl)oxan-4-amine

• ChemBase ID: 121442
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: N(C(c1ccccc1)C)C1CC(OCC1)(C)C
• Canonical SMILES: CC(c1ccccc1)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C15H23NO/c1-12(13-7-5-4-6-8-13)16-14-9-10-17-15(2,3)11-14/h4-8,12,14,16H,9-11H2,1-3H3
• InChIKey: PRJFAYDNJPOQFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-(1-phenylethyl)oxan-4-amine
• IUPAC Traditional name: 2,2-dimethyl-N-(1-phenylethyl)oxan-4-amine
• Synonyms: 2,2-dimethyl-N-(1-phenylethyl)tetrahydro-2H-pyran-4-amine

Database IDs

• PubChem SID: 162215795
• PubChem CID: 2772061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.61007726
• LogD (pH = 7.4): 0.12629381
• Log P: 2.6065075
• Molar Refractivity: 71.2573 cm^3
• Polarizability: 28.42215 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true