5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine

C14H20ClFN2 — CID 79727276

IUPAC5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCCC1CCC(N(C)c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C14H20ClFN2/c1-3-10-4-6-12(7-5-10)18(2)14-13(16)8-11(15)9-17-14/h8-10,12H,3-7H2,1-2H3
InChIKeyHVMOJBOBDGPPRU-UHFFFAOYSA-N
MW270.78 g/mol
LogP4.28
Rot. Bonds3

About 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine

5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine (PubChem CID 79727276) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine
PubChem CID79727276
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCCC1CCC(N(C)c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C14H20ClFN2/c1-3-10-4-6-12(7-5-10)18(2)14-13(16)8-11(15)9-17-14/h8-10,12H,3-7H2,1-2H3
InChIKeyHVMOJBOBDGPPRU-UHFFFAOYSA-N
XLogP4.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine (CID 79727276) is 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine is CCC1CCC(N(C)c2ncc(Cl)cc2F)CC1.
What is the InChIKey of 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is HVMOJBOBDGPPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-3-10-4-6-12(7-5-10)18(2)14-13(16)8-11(15)9-17-14/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine?
5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 270.78 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 79727276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).