{2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})amine

• ChemBase ID: 202746
• Molecular Formular: C23H39NO2
• Molecular Mass: 361.56126
• Monoisotopic Mass: 361.29807949
• SMILES: C1(CC(OCC1)(CC)C)(C(C)C)CCNCc1ccc(OC(C)C)cc1
• Canonical SMILES: CCC1(C)OCCC(C1)(CCNCc1ccc(cc1)OC(C)C)C(C)C
• InChI: InChI=1S/C23H39NO2/c1-7-22(6)17-23(18(2)3,13-15-25-22)12-14-24-16-20-8-10-21(11-9-20)26-19(4)5/h8-11,18-19,24H,7,12-17H2,1-6H3
• InChIKey: BVXZKVGVMFJFAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})amine
• IUPAC Traditional name: [2-(2-ethyl-4-isopropyl-2-methyloxan-4-yl)ethyl][(4-isopropoxyphenyl)methyl]amine

Database IDs

• PubChem SID: 164258656
• PubChem CID: 4637817

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9751425
• LogD (pH = 7.4): 2.7705116
• Log P: 5.187017
• Molar Refractivity: 110.1138 cm^3
• Polarizability: 43.832436 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds