dimethyl({3-[5-phenyl-2-(propan-2-yl)-1,3-oxazolidin-3-yl]propyl})amine

• ChemBase ID: 180888
• Molecular Formular: C17H28N2O
• Molecular Mass: 276.41702
• Monoisotopic Mass: 276.22016353
• SMILES: O1C(N(CC1c1ccccc1)CCCN(C)C)C(C)C
• Canonical SMILES: CC(C1OC(CN1CCCN(C)C)c1ccccc1)C
• InChI: InChI=1S/C17H28N2O/c1-14(2)17-19(12-8-11-18(3)4)13-16(20-17)15-9-6-5-7-10-15/h5-7,9-10,14,16-17H,8,11-13H2,1-4H3
• InChIKey: PBFNXZXJUZGFQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({3-[5-phenyl-2-(propan-2-yl)-1,3-oxazolidin-3-yl]propyl})amine
• IUPAC Traditional name: [3-(2-isopropyl-5-phenyl-1,3-oxazolidin-3-yl)propyl]dimethylamine

Database IDs

• PubChem SID: 164236798
• PubChem CID: 3525442

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3232119
• LogD (pH = 7.4): 1.012335
• Log P: 3.290344
• Molar Refractivity: 84.7669 cm^3
• Polarizability: 33.63313 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Rare Derivatives of Natural Compounds