4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline

C17H24F3N — CID 63455741

IUPAC4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCCCC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H24F3N/c1-3-4-13-6-9-14(10-7-13)21-15-8-5-12(2)16(11-15)17(18,19)20/h5,8,11,13-14,21H,3-4,6-7,9-10H2,1-2H3
InChIKeyWMIQCUOENFYNDC-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.78
Rot. Bonds4

About 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline

4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline (PubChem CID 63455741) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
PubChem CID63455741
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCCCC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H24F3N/c1-3-4-13-6-9-14(10-7-13)21-15-8-5-12(2)16(11-15)17(18,19)20/h5,8,11,13-14,21H,3-4,6-7,9-10H2,1-2H3
InChIKeyWMIQCUOENFYNDC-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline (CID 63455741) is 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline is CCCC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline?
The InChIKey is WMIQCUOENFYNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-3-4-13-6-9-14(10-7-13)21-15-8-5-12(2)16(11-15)17(18,19)20/h5,8,11,13-14,21H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline?
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline has a molecular weight of 299.38 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63455741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).