5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine

C11H17ClN2O — CID 62885987

IUPAC5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
SMILESCCC(C)(C)OCc1nc(N)ccc1Cl
InChIInChI=1S/C11H17ClN2O/c1-4-11(2,3)15-7-9-8(12)5-6-10(13)14-9/h5-6H,4,7H2,1-3H3,(H2,13,14)
InChIKeyKRSYKLXLSHRFCS-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.02
Rot. Bonds4

About 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine

5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine (PubChem CID 62885987) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
PubChem CID62885987
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
SMILESCCC(C)(C)OCc1nc(N)ccc1Cl
InChIInChI=1S/C11H17ClN2O/c1-4-11(2,3)15-7-9-8(12)5-6-10(13)14-9/h5-6H,4,7H2,1-3H3,(H2,13,14)
InChIKeyKRSYKLXLSHRFCS-UHFFFAOYSA-N
XLogP3.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine (CID 62885987) is 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine is CCC(C)(C)OCc1nc(N)ccc1Cl.
What is the InChIKey of 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine?
The InChIKey is KRSYKLXLSHRFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-4-11(2,3)15-7-9-8(12)5-6-10(13)14-9/h5-6H,4,7H2,1-3H3,(H2,13,14).
What are the key properties of 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine?
5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine has a molecular weight of 228.72 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methylbutan-2-yloxymethyl)pyridin-2-amine is sourced from PubChem (CID 62885987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).