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

C15H20F3N — CID 63536597

IUPACN-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
SMILESCC1CCCC(Nc2ccccc2C(F)(F)F)C1C
InChIInChI=1S/C15H20F3N/c1-10-6-5-9-13(11(10)2)19-14-8-4-3-7-12(14)15(16,17)18/h3-4,7-8,10-11,13,19H,5-6,9H2,1-2H3
InChIKeyMYWITCNGXZLANU-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.94
Rot. Bonds2

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

N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline (PubChem CID 63536597) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
PubChem CID63536597
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
SMILESCC1CCCC(Nc2ccccc2C(F)(F)F)C1C
InChIInChI=1S/C15H20F3N/c1-10-6-5-9-13(11(10)2)19-14-8-4-3-7-12(14)15(16,17)18/h3-4,7-8,10-11,13,19H,5-6,9H2,1-2H3
InChIKeyMYWITCNGXZLANU-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-(2,3-dimethylcyclohexyl)-2-(trifluoromethylsulfanyl)aniline
CID 64762204
[2-[(2,3-dimethylcyclohexyl)amino]phenyl]methanol
CID 64762855
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60897087
1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 114504908
3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
CID 64774574
N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 43078427
2-[(2,3-dimethylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 43153542
1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 43665342
N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline
CID 64921633
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8559717
N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 64501837

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline (CID 63536597) is N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline is CC1CCCC(Nc2ccccc2C(F)(F)F)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline?
The InChIKey is MYWITCNGXZLANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-6-5-9-13(11(10)2)19-14-8-4-3-7-12(14)15(16,17)18/h3-4,7-8,10-11,13,19H,5-6,9H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline?
N-(2,3-dimethylcyclohexyl)-2-(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-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 63536597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).