N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline

C17H24F3N — CID 53404787

IUPACN-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
SMILESCC(C)c1ccc(NCC2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N/c1-12(2)14-8-9-16(15(10-14)17(18,19)20)21-11-13-6-4-3-5-7-13/h8-10,12-13,21H,3-7,11H2,1-2H3
InChIKeyMYFHVRXICLJQDG-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.82
Rot. Bonds4

About N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline

N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline (PubChem CID 53404787) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
PubChem CID53404787
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
SMILESCC(C)c1ccc(NCC2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N/c1-12(2)14-8-9-16(15(10-14)17(18,19)20)21-11-13-6-4-3-5-7-13/h8-10,12-13,21H,3-7,11H2,1-2H3
InChIKeyMYFHVRXICLJQDG-UHFFFAOYSA-N
XLogP5.82
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 ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cycloheptylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404785
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53403796
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053481
4-(difluoromethyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053274
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
CID 43082566
4-bromo-N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 65483818
1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 168958846
4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline
CID 115053478
1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine
CID 43371532
2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
CID 115209825
4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline?
The IUPAC name of N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline (CID 53404787) is N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline is CC(C)c1ccc(NCC2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline?
The InChIKey is MYFHVRXICLJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-12(2)14-8-9-16(15(10-14)17(18,19)20)21-11-13-6-4-3-5-7-13/h8-10,12-13,21H,3-7,11H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline?
N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline has a molecular weight of 299.38 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 53404787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).