3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine

C14H18ClF3N2 — CID 64734646

IUPAC3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC(C)CC(Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H18ClF3N2/c1-8-3-9(2)5-11(4-8)20-13-12(15)6-10(7-19-13)14(16,17)18/h6-9,11H,3-5H2,1-2H3,(H,19,20)
InChIKeyHUGQHMGKIAJPIC-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.99
Rot. Bonds2

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

3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 64734646) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID64734646
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC(C)CC(Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H18ClF3N2/c1-8-3-9(2)5-11(4-8)20-13-12(15)6-10(7-19-13)14(16,17)18/h6-9,11H,3-5H2,1-2H3,(H,19,20)
InChIKeyHUGQHMGKIAJPIC-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine (CID 64734646) is 3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine is CC1CC(C)CC(Nc2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HUGQHMGKIAJPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-8-3-9(2)5-11(4-8)20-13-12(15)6-10(7-19-13)14(16,17)18/h6-9,11H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.76 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 64734646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).