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

Analyze N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 64501837
N-[2-(trifluoromethyl)phenyl]thian-4-amine
CID 43511244
N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline
CID 43724620
4-tert-butyl-N-[2-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65089478
4-tert-butyl-N-(2,3-difluorophenyl)cycloheptan-1-amine
CID 65089879
4-tert-butyl-N-(3-fluoro-2-methylphenyl)cycloheptan-1-amine
CID 65089978
tert-butyl 3-[2-(trifluoromethyl)anilino]pyrrolidine-1-carboxylate
CID 103820804
2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753632
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597
N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086909

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).