N-[(2-ethoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

• ChemBase ID: 13473
• Molecular Formular: C18H30N2O
• Molecular Mass: 290.4436
• Monoisotopic Mass: 290.23581359
• SMILES: C1(NCc2c(cccc2)OCC)CC(NC(C1)(C)C)(C)C
• Canonical SMILES: CCOc1ccccc1CNC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C18H30N2O/c1-6-21-16-10-8-7-9-14(16)13-19-15-11-17(2,3)20-18(4,5)12-15/h7-10,15,19-20H,6,11-13H2,1-5H3
• InChIKey: IXSBXJAOUMNUOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
• IUPAC Traditional name: N-[(2-ethoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
• Synonyms: (2-Ethoxy-benzyl)-(2,2,6,6-tetramethyl-piperidin-4-yl)-amine

Database IDs

• MDL Number: MFCD03725043
• PubChem SID: 160976780
• PubChem CID: 1082630

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6296248
• LogD (pH = 7.4): -0.63969755
• Log P: 2.7687929
• Molar Refractivity: 88.7882 cm^3
• Polarizability: 35.464386 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false