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

C11H12F3N — CID 130239193

IUPACN-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine
SMILESC/N=C(\C)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C11H12F3N/c1-7-6-9(11(12,13)14)4-5-10(7)8(2)15-3/h4-6H,1-3H3/b15-8+
InChIKeyRPRDEELXEALKKU-OVCLIPMQSA-N
MW215.22 g/mol
LogP3.45
Rot. Bonds1

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

N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 130239193) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine
PubChem CID130239193
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine
SMILESC/N=C(\C)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C11H12F3N/c1-7-6-9(11(12,13)14)4-5-10(7)8(2)15-3/h4-6H,1-3H3/b15-8+
InChIKeyRPRDEELXEALKKU-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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Related Compounds

1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
N-methyl-4-(trifluoromethyl)benzenecarboximidate
CID 58832425
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
4,4,4-trifluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 102752652
N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine
CID 138698853
3-chloro-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 175668332
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 103454075

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine (CID 130239193) is N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine is C/N=C(\C)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is RPRDEELXEALKKU-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H12F3N/c1-7-6-9(11(12,13)14)4-5-10(7)8(2)15-3/h4-6H,1-3H3/b15-8+.
What are the key properties of N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine?
N-methyl-1-[2-methyl-4-(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-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 130239193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).