4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline

C15H19ClF3N — CID 63863027

IUPAC4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCCC1CCCCC1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H19ClF3N/c1-2-10-5-3-4-6-14(10)20-11-7-8-13(16)12(9-11)15(17,18)19/h7-10,14,20H,2-6H2,1H3
InChIKeyKFRXWFVMJGXETG-UHFFFAOYSA-N
MW305.77 g/mol
LogP5.74
Rot. Bonds3

About 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline

4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline (PubChem CID 63863027) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline
PubChem CID63863027
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCCC1CCCCC1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H19ClF3N/c1-2-10-5-3-4-6-14(10)20-11-7-8-13(16)12(9-11)15(17,18)19/h7-10,14,20H,2-6H2,1H3
InChIKeyKFRXWFVMJGXETG-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

3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60900430
2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
CID 107678378
2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline
CID 63861238
3-chloro-N-(2-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 116698835
4-chloro-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423523
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
1-N-(2-ethylcyclohexyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402505
4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64761788
N-(2-ethylcyclohexyl)-4-propan-2-ylaniline
CID 63862131
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline (CID 63863027) is 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline is CCC1CCCCC1Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline?
The InChIKey is KFRXWFVMJGXETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N/c1-2-10-5-3-4-6-14(10)20-11-7-8-13(16)12(9-11)15(17,18)19/h7-10,14,20H,2-6H2,1H3.
What are the key properties of 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline?
4-chloro-N-(2-ethylcyclohexyl)-3-(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 4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63863027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).