1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine

C15H12F3N — CID 23340663

IUPAC1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
SMILESCc1ccc(C(F)(F)F)cc1/C=N/c1ccccc1
InChIInChI=1S/C15H12F3N/c1-11-7-8-13(15(16,17)18)9-12(11)10-19-14-5-3-2-4-6-14/h2-10H,1H3/b19-10+
InChIKeyQDCAHZKQGONWJN-VXLYETTFSA-N
MW263.26 g/mol
LogP4.76
Rot. Bonds2

About 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine

1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine (PubChem CID 23340663) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
PubChem CID23340663
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
SMILESCc1ccc(C(F)(F)F)cc1/C=N/c1ccccc1
InChIInChI=1S/C15H12F3N/c1-11-7-8-13(15(16,17)18)9-12(11)10-19-14-5-3-2-4-6-14/h2-10H,1H3/b19-10+
InChIKeyQDCAHZKQGONWJN-VXLYETTFSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-phenylmethanimine
CID 126206232
2-tert-butyl-6-[[3-[[3-tert-butyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137082080
1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine
CID 59167438
1-methyl-2-nitroso-4-(trifluoromethyl)benzene
CID 89173391
1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340671
2,2,2-trifluoro-N-phenylethanimine
CID 86178154
phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone
CID 46907578
1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 4134232
1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 964575
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
CID 168993279
1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene
CID 66706526
4-methyl-2-(phenyliminomethyl)aniline
CID 139726369

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine (CID 23340663) is 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine is Cc1ccc(C(F)(F)F)cc1/C=N/c1ccccc1.
What is the InChIKey of 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine?
The InChIKey is QDCAHZKQGONWJN-VXLYETTFSA-N. The full InChI is InChI=1S/C15H12F3N/c1-11-7-8-13(15(16,17)18)9-12(11)10-19-14-5-3-2-4-6-14/h2-10H,1H3/b19-10+.
What are the key properties of 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine?
1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine has a molecular weight of 263.26 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine is sourced from PubChem (CID 23340663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).