N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline

C11H14F3N — CID 58563197

IUPACN-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline
SMILESCCNc1cc(C)cc(C(F)(F)F)c1C
InChIInChI=1S/C11H14F3N/c1-4-15-10-6-7(2)5-9(8(10)3)11(12,13)14/h5-6,15H,4H2,1-3H3
InChIKeyVWZSZIHLPJGKPG-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.75
Rot. Bonds2

About N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline

N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline (PubChem CID 58563197) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline
PubChem CID58563197
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline
SMILESCCNc1cc(C)cc(C(F)(F)F)c1C
InChIInChI=1S/C11H14F3N/c1-4-15-10-6-7(2)5-9(8(10)3)11(12,13)14/h5-6,15H,4H2,1-3H3
InChIKeyVWZSZIHLPJGKPG-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
3-[(2,5-Dimethylphenyl)amino]propanenitrile
CID 2416544
N-Ethyl-2,3-dimethylaniline
CID 584336
7-(Trifluoromethyl)quinoline-4-thiol
CID 688041
N-methyl-4'-(trifluoromethyl)-4-biphenylamine
CID 23625978
2,2,4,6,7-Pentamethyl-1,2-dihydroquinoline
CID 647805
3-[(3,5-Dimethylphenyl)amino]propanenitrile
CID 292632
7-Methyl-1,2,3,4-tetrahydroquinoline
CID 458680
2-Trifluoromethyl-N-methylaniline
CID 2760894
2,4,7,8-Tetramethyl-1,2,3,4-tetrahydroquinoline hydrochloride
CID 6602717
2-(1-Ethyl-6-methyl-2,3-dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660303
4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline
CID 162644264

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline (CID 58563197) is N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline is CCNc1cc(C)cc(C(F)(F)F)c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline?
The InChIKey is VWZSZIHLPJGKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-4-15-10-6-7(2)5-9(8(10)3)11(12,13)14/h5-6,15H,4H2,1-3H3.
What are the key properties of N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline?
N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline has a molecular weight of 217.23 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 58563197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).