2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile

C15H17F3N2 — CID 107803664

IUPAC2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
SMILESCc1cccc(NC2CCCCC2C(F)(F)F)c1C#N
InChIInChI=1S/C15H17F3N2/c1-10-5-4-8-13(11(10)9-19)20-14-7-3-2-6-12(14)15(16,17)18/h4-5,8,12,14,20H,2-3,6-7H2,1H3
InChIKeyUTYTWEJLNWPUEN-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.40
Rot. Bonds2

About 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile

2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile (PubChem CID 107803664) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile.

Molecular Properties

Compound Name2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
PubChem CID107803664
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
SMILESCc1cccc(NC2CCCCC2C(F)(F)F)c1C#N
InChIInChI=1S/C15H17F3N2/c1-10-5-4-8-13(11(10)9-19)20-14-7-3-2-6-12(14)15(16,17)18/h4-5,8,12,14,20H,2-3,6-7H2,1H3
InChIKeyUTYTWEJLNWPUEN-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-6-methylbenzonitrile
CID 107804318
2-methyl-6-(thian-4-ylamino)benzonitrile
CID 107803426
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 82015367
4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758056
3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64759514
2-[(3-methoxycyclohexyl)amino]-6-methylbenzonitrile
CID 114002933
2-methyl-4-nitro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757267
2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757471
2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
CID 107803329
2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 107803202
2-(2-methylanilino)cycloheptane-1-carbonitrile
CID 62743701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
The IUPAC name of 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile (CID 107803664) is 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile.
What is the SMILES notation for 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
The canonical SMILES for 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile is Cc1cccc(NC2CCCCC2C(F)(F)F)c1C#N.
What is the InChIKey of 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
The InChIKey is UTYTWEJLNWPUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-10-5-4-8-13(11(10)9-19)20-14-7-3-2-6-12(14)15(16,17)18/h4-5,8,12,14,20H,2-3,6-7H2,1H3.
What are the key properties of 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile has a molecular weight of 282.31 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile is sourced from PubChem (CID 107803664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).