2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile

C15H17F3N2 — CID 62880782

IUPAC2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2/c16-15(17,18)13-7-3-1-6-12(13)10-20-14-8-4-2-5-11(14)9-19/h1,3,6-7,11,14,20H,2,4-5,8,10H2
InChIKeyKNUIHFJXSVHNEF-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.88
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile

2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile (PubChem CID 62880782) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
PubChem CID62880782
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2/c16-15(17,18)13-7-3-1-6-12(13)10-20-14-8-4-2-5-11(14)9-19/h1,3,6-7,11,14,20H,2,4-5,8,10H2
InChIKeyKNUIHFJXSVHNEF-UHFFFAOYSA-N
XLogP3.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile (CID 62880782) is 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile is N#CC1CCCCC1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile?
The InChIKey is KNUIHFJXSVHNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c16-15(17,18)13-7-3-1-6-12(13)10-20-14-8-4-2-5-11(14)9-19/h1,3,6-7,11,14,20H,2,4-5,8,10H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile?
2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile has a molecular weight of 282.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62880782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).