N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine

C11H12F3N — CID 138698853

IUPACN-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine
SMILESC/N=C(\C)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3N/c1-7-4-9(8(2)15-3)6-10(5-7)11(12,13)14/h4-6H,1-3H3/b15-8+
InChIKeyOBFDAUOJZPBXIJ-OVCLIPMQSA-N
MW215.22 g/mol
LogP3.45
Rot. Bonds1

About N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine

N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine (PubChem CID 138698853) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine
PubChem CID138698853
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine
SMILESC/N=C(\C)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3N/c1-7-4-9(8(2)15-3)6-10(5-7)11(12,13)14/h4-6H,1-3H3/b15-8+
InChIKeyOBFDAUOJZPBXIJ-OVCLIPMQSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine (CID 138698853) is N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine is C/N=C(\C)c1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is OBFDAUOJZPBXIJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H12F3N/c1-7-4-9(8(2)15-3)6-10(5-7)11(12,13)14/h4-6H,1-3H3/b15-8+.
What are the key properties of N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine?
N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 215.22 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 138698853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).