4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine

C15H23ClN2O — CID 61424002

IUPAC4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1nc(C)cc(C)c1CCl
InChIInChI=1S/C15H23ClN2O/c1-5-13-9-19-12(4)8-18(13)15-14(7-16)10(2)6-11(3)17-15/h6,12-13H,5,7-9H2,1-4H3
InChIKeyXFHIDVLBCOUVGR-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.44
Rot. Bonds3

About 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine

4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine (PubChem CID 61424002) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
PubChem CID61424002
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1nc(C)cc(C)c1CCl
InChIInChI=1S/C15H23ClN2O/c1-5-13-9-19-12(4)8-18(13)15-14(7-16)10(2)6-11(3)17-15/h6,12-13H,5,7-9H2,1-4H3
InChIKeyXFHIDVLBCOUVGR-UHFFFAOYSA-N
XLogP3.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine (CID 61424002) is 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1c1nc(C)cc(C)c1CCl.
What is the InChIKey of 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The InChIKey is XFHIDVLBCOUVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-13-9-19-12(4)8-18(13)15-14(7-16)10(2)6-11(3)17-15/h6,12-13H,5,7-9H2,1-4H3.
What are the key properties of 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine?
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine has a molecular weight of 282.81 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 61424002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).