1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide

C15H12F3NO — CID 88775154

IUPAC1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide
SMILESCc1ccc(C=[N+]([O-])c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO/c1-11-7-8-12(14(9-11)15(16,17)18)10-19(20)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyNJGWPTVWFRHOKG-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.27
Rot. Bonds2

About 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide

1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide (PubChem CID 88775154) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide.

Molecular Properties

Compound Name1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide
PubChem CID88775154
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide
SMILESCc1ccc(C=[N+]([O-])c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO/c1-11-7-8-12(14(9-11)15(16,17)18)10-19(20)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyNJGWPTVWFRHOKG-UHFFFAOYSA-N
XLogP4.27
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.27
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'}

Analyze 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide?
The IUPAC name of 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide (CID 88775154) is 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide.
What is the SMILES notation for 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide?
The canonical SMILES for 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide is Cc1ccc(C=[N+]([O-])c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide?
The InChIKey is NJGWPTVWFRHOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-11-7-8-12(14(9-11)15(16,17)18)10-19(20)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide?
1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide has a molecular weight of 279.26 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide is sourced from PubChem (CID 88775154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).