2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline

C17H18F3N — CID 43105751

IUPAC2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCc1cccc(NC(C)c2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C17H18F3N/c1-11-7-6-10-16(12(11)2)21-13(3)14-8-4-5-9-15(14)17(18,19)20/h4-10,13,21H,1-3H3
InChIKeyDTUKSHYLUKGLKO-UHFFFAOYSA-N
MW293.33 g/mol
LogP5.50
Rot. Bonds3

About 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline

2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 43105751) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID43105751
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCc1cccc(NC(C)c2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C17H18F3N/c1-11-7-6-10-16(12(11)2)21-13(3)14-8-4-5-9-15(14)17(18,19)20/h4-10,13,21H,1-3H3
InChIKeyDTUKSHYLUKGLKO-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.33
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 107630374
3-chloro-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43098144
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
2,3-dimethyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]aniline
CID 91155910
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
4-bromo-N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 60790956
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099199
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43555398
N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline
CID 43111586

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline (CID 43105751) is 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline is Cc1cccc(NC(C)c2ccccc2C(F)(F)F)c1C.
What is the InChIKey of 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is DTUKSHYLUKGLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-11-7-6-10-16(12(11)2)21-13(3)14-8-4-5-9-15(14)17(18,19)20/h4-10,13,21H,1-3H3.
What are the key properties of 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline has a molecular weight of 293.33 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43105751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).