3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C13H16ClF3N2 — CID 43215333

IUPAC3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H16ClF3N2/c14-11-6-10(13(15,16)17)8-19-12(11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,19)
InChIKeyBWNQOFBNDFHTGU-UHFFFAOYSA-N
MW292.73 g/mol
LogP4.75
Rot. Bonds3

About 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 43215333) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID43215333
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H16ClF3N2/c14-11-6-10(13(15,16)17)8-19-12(11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,19)
InChIKeyBWNQOFBNDFHTGU-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 43215333) is 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCC2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BWNQOFBNDFHTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c14-11-6-10(13(15,16)17)8-19-12(11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,18,19).
What are the key properties of 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 292.73 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43215333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).