(oxolan-2-ylmethyl)(4-phenylbutan-2-yl)amine

• ChemBase ID: 15209
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: c1(CCC(NCC2CCCO2)C)ccccc1
• Canonical SMILES: CC(CCc1ccccc1)NCC1CCCO1
• InChI: InChI=1S/C15H23NO/c1-13(16-12-15-8-5-11-17-15)9-10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3
• InChIKey: MCHGAQOKJAJLPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)(4-phenylbutan-2-yl)amine
• IUPAC Traditional name: (oxolan-2-ylmethyl)(4-phenylbutan-2-yl)amine
• Synonyms: (1-Methyl-3-phenyl-propyl)-(tetrahydro-furan-2-ylmethyl)-amine

Database IDs

• MDL Number: MFCD01453953
• PubChem SID: 160978516
• PubChem CID: 3159031

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.11264325
• LogD (pH = 7.4): 0.6738108
• Log P: 3.0999885
• Molar Refractivity: 71.3355 cm^3
• Polarizability: 28.346327 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false