3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline

C15H16F3N — CID 162548304

IUPAC3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline
SMILESCc1cc(C)cc(NC2=CCC(C(F)(F)F)C=C2)c1
InChIInChI=1S/C15H16F3N/c1-10-7-11(2)9-14(8-10)19-13-5-3-12(4-6-13)15(16,17)18/h3,5-9,12,19H,4H2,1-2H3
InChIKeyJXKCMZDQUVALDF-UHFFFAOYSA-N
MW267.29 g/mol
LogP4.74
Rot. Bonds2

About 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline

3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 162548304) has the molecular formula C15H16F3N and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline
PubChem CID162548304
Molecular FormulaC15H16F3N
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline
SMILESCc1cc(C)cc(NC2=CCC(C(F)(F)F)C=C2)c1
InChIInChI=1S/C15H16F3N/c1-10-7-11(2)9-14(8-10)19-13-5-3-12(4-6-13)15(16,17)18/h3,5-9,12,19H,4H2,1-2H3
InChIKeyJXKCMZDQUVALDF-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole
CID 134600372
N-(3,5-dimethylphenyl)-4-fluoro-3,5-dimethylaniline
CID 135382358
N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 134173031
1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 143992498
5-bromo-N-(3,5-dimethylphenyl)-4-[5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-2-amine
CID 70900722
4-(3,5-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320662
2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 89192313
3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 79055270
4-(3,5-dimethylanilino)-2-methylbutan-2-ol
CID 79359580
5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 63874390
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium
CID 154708449

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline (CID 162548304) is 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline is Cc1cc(C)cc(NC2=CCC(C(F)(F)F)C=C2)c1.
What is the InChIKey of 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is JXKCMZDQUVALDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N/c1-10-7-11(2)9-14(8-10)19-13-5-3-12(4-6-13)15(16,17)18/h3,5-9,12,19H,4H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline?
3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 267.29 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 162548304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).