2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile

C15H17F3N2 — CID 43331072

IUPAC2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
SMILESCC1CCCCC1Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C15H17F3N2/c1-10-4-2-3-5-13(10)20-14-7-6-12(15(16,17)18)8-11(14)9-19/h6-8,10,13,20H,2-5H2,1H3
InChIKeyKZHXDRVZMNTBHQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.57
Rot. Bonds2

About 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile

2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile (PubChem CID 43331072) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
PubChem CID43331072
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
SMILESCC1CCCCC1Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C15H17F3N2/c1-10-4-2-3-5-13(10)20-14-7-6-12(15(16,17)18)8-11(14)9-19/h6-8,10,13,20H,2-5H2,1H3
InChIKeyKZHXDRVZMNTBHQ-UHFFFAOYSA-N
XLogP4.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dimethylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 43153542
trans-(1S,2S)-2-[2-cyano-4-(trifluoromethyl)anilino]cyclopentane-1-carboxamide
CID 97236999
2-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178607
5-amino-2-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 61295781
2-(thian-3-ylamino)-5-(trifluoromethyl)benzonitrile
CID 112699066
2-[(3-ethylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 64750191
2-(6-bicyclo[3.2.0]hept-3-enylamino)-5-(trifluoromethyl)benzonitrile
CID 115911018
5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 82015367
tert-butyl 3-[2-cyano-4-(trifluoromethyl)anilino]azetidine-1-carboxylate
CID 113353594
N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide
CID 133360912
N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
CID 112556198
2-chloro-3-methyl-4-[[(1R,2S)-2-methylcyclopentyl]amino]benzonitrile
CID 126752672

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile (CID 43331072) is 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile is CC1CCCCC1Nc1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile?
The InChIKey is KZHXDRVZMNTBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-10-4-2-3-5-13(10)20-14-7-6-12(15(16,17)18)8-11(14)9-19/h6-8,10,13,20H,2-5H2,1H3.
What are the key properties of 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile?
2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile has a molecular weight of 282.31 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43331072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).