N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline

C15H20F3N — CID 43104879

IUPACN-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC1CCCC(C)C1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-10-5-3-6-11(2)14(10)19-13-8-4-7-12(9-13)15(16,17)18/h4,7-11,14,19H,3,5-6H2,1-2H3
InChIKeyNJKHDPLHBJODBY-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.94
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline

N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline (PubChem CID 43104879) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
PubChem CID43104879
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC1CCCC(C)C1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N/c1-10-5-3-6-11(2)14(10)19-13-8-4-7-12(9-13)15(16,17)18/h4,7-11,14,19H,3,5-6H2,1-2H3
InChIKeyNJKHDPLHBJODBY-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethylcyclohexyl)-3-iodoaniline
CID 43124617
3-[(2,6-dimethylcyclohexyl)amino]benzonitrile
CID 43098261
N-(2-methylsulfonylcyclopentyl)-3-(trifluoromethyl)aniline
CID 65046898
N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline
CID 102081817
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
1-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19652578
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one
CID 78202559
N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63419352
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
CID 104776139

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline (CID 43104879) is N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline is CC1CCCC(C)C1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline?
The InChIKey is NJKHDPLHBJODBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-5-3-6-11(2)14(10)19-13-8-4-7-12(9-13)15(16,17)18/h4,7-11,14,19H,3,5-6H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline?
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline has a molecular weight of 271.33 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43104879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).