1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine

C13H19ClN2O2 — CID 55066112

IUPAC1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(OCC2CCOCC2)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-15-8-12-11(14)2-3-13(16-12)18-9-10-4-6-17-7-5-10/h2-3,10,15H,4-9H2,1H3
InChIKeyGMDHAWRQXIWSPK-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.26
Rot. Bonds5

About 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine (PubChem CID 55066112) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
PubChem CID55066112
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(OCC2CCOCC2)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-15-8-12-11(14)2-3-13(16-12)18-9-10-4-6-17-7-5-10/h2-3,10,15H,4-9H2,1H3
InChIKeyGMDHAWRQXIWSPK-UHFFFAOYSA-N
XLogP2.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine (CID 55066112) is 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine is CNCc1nc(OCC2CCOCC2)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is GMDHAWRQXIWSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-15-8-12-11(14)2-3-13(16-12)18-9-10-4-6-17-7-5-10/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 270.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 55066112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).