6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine

C12H17ClN2O — CID 58127446

IUPAC6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCc1ccc(NCC2CCOCC2)nc1Cl
InChIInChI=1S/C12H17ClN2O/c1-9-2-3-11(15-12(9)13)14-8-10-4-6-16-7-5-10/h2-3,10H,4-8H2,1H3,(H,14,15)
InChIKeyLLXPIAGEQDMOLR-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.88
Rot. Bonds3

About 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine

6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 58127446) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID58127446
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCc1ccc(NCC2CCOCC2)nc1Cl
InChIInChI=1S/C12H17ClN2O/c1-9-2-3-11(15-12(9)13)14-8-10-4-6-16-7-5-10/h2-3,10H,4-8H2,1H3,(H,14,15)
InChIKeyLLXPIAGEQDMOLR-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 58127446) is 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine is Cc1ccc(NCC2CCOCC2)nc1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is LLXPIAGEQDMOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-2-3-11(15-12(9)13)14-8-10-4-6-16-7-5-10/h2-3,10H,4-8H2,1H3,(H,14,15).
What are the key properties of 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 240.73 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 58127446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).