N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine

C15H12F3N — CID 11242488

IUPACN-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C15H12F3N/c16-15(17,18)14-8-6-13(7-9-14)11-19-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b19-11+
InChIKeyJKQKSLOAHARRIY-YBFXNURJSA-N
MW263.26 g/mol
LogP4.32
Rot. Bonds3

About N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine

N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 11242488) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID11242488
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC NameN-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C15H12F3N/c16-15(17,18)14-8-6-13(7-9-14)11-19-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b19-11+
InChIKeyJKQKSLOAHARRIY-YBFXNURJSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine 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 N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine (CID 11242488) is N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/C=N/Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is JKQKSLOAHARRIY-YBFXNURJSA-N. The full InChI is InChI=1S/C15H12F3N/c16-15(17,18)14-8-6-13(7-9-14)11-19-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b19-11+.
What are the key properties of N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine?
N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 263.26 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 11242488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).