3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline

C17H18F3N — CID 43107070

IUPAC3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCc1ccc(NC(C)c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C17H18F3N/c1-11-4-9-16(10-12(11)2)21-13(3)14-5-7-15(8-6-14)17(18,19)20/h4-10,13,21H,1-3H3
InChIKeyZABUHOXGBFDWSV-UHFFFAOYSA-N
MW293.33 g/mol
LogP5.50
Rot. Bonds3

About 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline

3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 43107070) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID43107070
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCc1ccc(NC(C)c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C17H18F3N/c1-11-4-9-16(10-12(11)2)21-13(3)14-5-7-15(8-6-14)17(18,19)20/h4-10,13,21H,1-3H3
InChIKeyZABUHOXGBFDWSV-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

4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476341
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline
CID 43110389
5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43729368
5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949
3-chloro-4-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107164
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
4-methyl-6-propan-2-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine
CID 121313798
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105300140
3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline
CID 62649270
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 63455967

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline (CID 43107070) is 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline is Cc1ccc(NC(C)c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is ZABUHOXGBFDWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-11-4-9-16(10-12(11)2)21-13(3)14-5-7-15(8-6-14)17(18,19)20/h4-10,13,21H,1-3H3.
What are the key properties of 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
3,4-dimethyl-N-[1-[4-(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 3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43107070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).