2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline

C15H19ClF3N — CID 63861238

IUPAC2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline
SMILESCCC1CCCCC1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H19ClF3N/c1-2-10-5-3-4-6-13(10)20-14-8-7-11(9-12(14)16)15(17,18)19/h7-10,13,20H,2-6H2,1H3
InChIKeyYWINONPPIZYGFZ-UHFFFAOYSA-N
MW305.77 g/mol
LogP5.74
Rot. Bonds3

About 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline

2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline (PubChem CID 63861238) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline
PubChem CID63861238
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline
SMILESCCC1CCCCC1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H19ClF3N/c1-2-10-5-3-4-6-13(10)20-14-8-7-11(9-12(14)16)15(17,18)19/h7-10,13,20H,2-6H2,1H3
InChIKeyYWINONPPIZYGFZ-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.77
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63402504
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
1-N-(2-ethylcyclohexyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402505
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
3-chloro-N-(2-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 116698835
4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63863027
N-(2-ethylcyclohexyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720558
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
CID 43714560
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43714555
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43434076
N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083806
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline (CID 63861238) is 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline is CCC1CCCCC1Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline?
The InChIKey is YWINONPPIZYGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N/c1-2-10-5-3-4-6-13(10)20-14-8-7-11(9-12(14)16)15(17,18)19/h7-10,13,20H,2-6H2,1H3.
What are the key properties of 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline?
2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline has a molecular weight of 305.77 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 63861238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).