N-benzyl-2,2,5,5-tetramethyloxolan-3-amine

• ChemBase ID: 247645
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: O1C(C(CC1(C)C)NCc1ccccc1)(C)C
• Canonical SMILES: CC1(C)OC(CC1NCc1ccccc1)(C)C
• InChI: InChI=1S/C15H23NO/c1-14(2)10-13(15(3,4)17-14)16-11-12-8-6-5-7-9-12/h5-9,13,16H,10-11H2,1-4H3
• InChIKey: MAAYZBWOBUSFQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2,2,5,5-tetramethyloxolan-3-amine
• IUPAC Traditional name: N-benzyl-2,2,5,5-tetramethyloxolan-3-amine
• Synonyms: N-benzyl-2,2,5,5-tetramethyloxolan-3-amine

Database IDs

• MDL Number: MFCD22893359
• PubChem SID: 164303555
• PubChem CID: 71683334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.34540722
• LogD (pH = 7.4): 0.7517221
• Log P: 2.8271244
• Molar Refractivity: 71.0301 cm^3
• Polarizability: 28.422607 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.58

Product Information

• Purity: 95%