N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide

C18H18F3NO — CID 24892271

IUPACN-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
SMILESCC(C)(Cc1ccccc1)/[N+]([O-])=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO/c1-17(2,12-14-6-4-3-5-7-14)22(23)13-15-8-10-16(11-9-15)18(19,20)21/h3-11,13H,12H2,1-2H3/b22-13+
InChIKeyUTDSDSCUTINSCF-LPYMAVHISA-N
MW321.34 g/mol
LogP4.66
Rot. Bonds4

About N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide

N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide (PubChem CID 24892271) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
PubChem CID24892271
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
SMILESCC(C)(Cc1ccccc1)/[N+]([O-])=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO/c1-17(2,12-14-6-4-3-5-7-14)22(23)13-15-8-10-16(11-9-15)18(19,20)21/h3-11,13H,12H2,1-2H3/b22-13+
InChIKeyUTDSDSCUTINSCF-LPYMAVHISA-N
XLogP4.66
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
The IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide (CID 24892271) is N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide.
What is the SMILES notation for N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
The canonical SMILES for N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide is CC(C)(Cc1ccccc1)/[N+]([O-])=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
The InChIKey is UTDSDSCUTINSCF-LPYMAVHISA-N. The full InChI is InChI=1S/C18H18F3NO/c1-17(2,12-14-6-4-3-5-7-14)22(23)13-15-8-10-16(11-9-15)18(19,20)21/h3-11,13H,12H2,1-2H3/b22-13+.
What are the key properties of N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide has a molecular weight of 321.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide is sourced from PubChem (CID 24892271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).