4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline

C15H19ClF3N — CID 64761788

IUPAC4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC1CCC(Nc2ccc(Cl)c(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C15H19ClF3N/c1-9-3-6-14(10(2)7-9)20-11-4-5-13(16)12(8-11)15(17,18)19/h4-5,8-10,14,20H,3,6-7H2,1-2H3
InChIKeyPYEWQODFCVQCLV-UHFFFAOYSA-N
MW305.77 g/mol
LogP5.60
Rot. Bonds2

About 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline

4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline (PubChem CID 64761788) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
PubChem CID64761788
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC1CCC(Nc2ccc(Cl)c(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C15H19ClF3N/c1-9-3-6-14(10(2)7-9)20-11-4-5-13(16)12(8-11)15(17,18)19/h4-5,8-10,14,20H,3,6-7H2,1-2H3
InChIKeyPYEWQODFCVQCLV-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.77
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-(trifluoromethyl)-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81303206
4-chloro-N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64731814
2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 64762878
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60900430
4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
CID 64776351
4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63863027
4-chloro-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423523
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 64762784
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359
5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide
CID 64761633
4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 62399118

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline (CID 64761788) is 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline is CC1CCC(Nc2ccc(Cl)c(C(F)(F)F)c2)C(C)C1.
What is the InChIKey of 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline?
The InChIKey is PYEWQODFCVQCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N/c1-9-3-6-14(10(2)7-9)20-11-4-5-13(16)12(8-11)15(17,18)19/h4-5,8-10,14,20H,3,6-7H2,1-2H3.
What are the key properties of 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline?
4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline has a molecular weight of 305.77 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 64761788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).