2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile

C15H17F3N2 — CID 62879600

IUPAC2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2/c16-15(17,18)13-7-5-11(6-8-13)10-20-14-4-2-1-3-12(14)9-19/h5-8,12,14,20H,1-4,10H2
InChIKeyHIVPWWUCUGSHIC-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.88
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile

2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile (PubChem CID 62879600) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
PubChem CID62879600
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2/c16-15(17,18)13-7-5-11(6-8-13)10-20-14-4-2-1-3-12(14)9-19/h5-8,12,14,20H,1-4,10H2
InChIKeyHIVPWWUCUGSHIC-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

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Related Compounds

2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62880782
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide
CID 62961122
4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
CID 55154245
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756
methyl 4-[[(2-cyanocyclopentyl)amino]methyl]benzoate
CID 62960921
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62743682
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile (CID 62879600) is 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile is N#CC1CCCCC1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile?
The InChIKey is HIVPWWUCUGSHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c16-15(17,18)13-7-5-11(6-8-13)10-20-14-4-2-1-3-12(14)9-19/h5-8,12,14,20H,1-4,10H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile?
2-[[4-(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-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62879600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).