N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline

C17H24F3N — CID 63419352

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC1CCC(C(C)C)C(Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3N/c1-11(2)15-8-7-12(3)9-16(15)21-14-6-4-5-13(10-14)17(18,19)20/h4-6,10-12,15-16,21H,7-9H2,1-3H3
InChIKeyHWJIXIDTJWGFFS-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.58
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline

N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline (PubChem CID 63419352) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
PubChem CID63419352
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC1CCC(C(C)C)C(Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3N/c1-11(2)15-8-7-12(3)9-16(15)21-14-6-4-5-13(10-14)17(18,19)20/h4-6,10-12,15-16,21H,7-9H2,1-3H3
InChIKeyHWJIXIDTJWGFFS-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 79055587
2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 63477106
N-(5-methyl-2-propan-2-ylcyclohexyl)quinolin-6-amine
CID 63476993
2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine
CID 63451308
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
N-[[4-(dimethylamino)phenyl]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphoryl]-3-(trifluoromethyl)aniline
CID 3770214
2-chloro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43686839
[4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate
CID 46861663
trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 67477177
4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 43728096
N-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452
N-(2-methylsulfonylcyclopentyl)-3-(trifluoromethyl)aniline
CID 65046898

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline (CID 63419352) is N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline is CC1CCC(C(C)C)C(Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
The InChIKey is HWJIXIDTJWGFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-11(2)15-8-7-12(3)9-16(15)21-14-6-4-5-13(10-14)17(18,19)20/h4-6,10-12,15-16,21H,7-9H2,1-3H3.
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline has a molecular weight of 299.38 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63419352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).