5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine

C14H20ClFN2 — CID 79727537

IUPAC5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine
SMILESCC1CCCC(CCNc2ncc(Cl)cc2F)C1
InChIInChI=1S/C14H20ClFN2/c1-10-3-2-4-11(7-10)5-6-17-14-13(16)8-12(15)9-18-14/h8-11H,2-7H2,1H3,(H,17,18)
InChIKeyLEZOCVRNBNQGAU-UHFFFAOYSA-N
MW270.78 g/mol
LogP4.50
Rot. Bonds4

About 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine

5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine (PubChem CID 79727537) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine
PubChem CID79727537
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine
SMILESCC1CCCC(CCNc2ncc(Cl)cc2F)C1
InChIInChI=1S/C14H20ClFN2/c1-10-3-2-4-11(7-10)5-6-17-14-13(16)8-12(15)9-18-14/h8-11H,2-7H2,1H3,(H,17,18)
InChIKeyLEZOCVRNBNQGAU-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine (CID 79727537) is 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine is CC1CCCC(CCNc2ncc(Cl)cc2F)C1.
What is the InChIKey of 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine?
The InChIKey is LEZOCVRNBNQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10-3-2-4-11(7-10)5-6-17-14-13(16)8-12(15)9-18-14/h8-11H,2-7H2,1H3,(H,17,18).
What are the key properties of 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine has a molecular weight of 270.78 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 79727537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).