N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline

C17H24F3N — CID 4711830

IUPACN-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline
SMILESCC(C)(C)C1CCC(Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N/c1-16(2,3)12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)17(18,19)20/h4-7,12-13,21H,8-11H2,1-3H3
InChIKeyUWFOSZPMLUDENA-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.72
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline

N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline (PubChem CID 4711830) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline
PubChem CID4711830
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline
SMILESCC(C)(C)C1CCC(Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N/c1-16(2,3)12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)17(18,19)20/h4-7,12-13,21H,8-11H2,1-3H3
InChIKeyUWFOSZPMLUDENA-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline (CID 4711830) is N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline is CC(C)(C)C1CCC(Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline?
The InChIKey is UWFOSZPMLUDENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-16(2,3)12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)17(18,19)20/h4-7,12-13,21H,8-11H2,1-3H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline?
N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline has a molecular weight of 299.38 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 4711830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).