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

C13H19ClN2O — CID 62254121

IUPAC4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1cccc(CCl)n1
InChIInChI=1S/C13H19ClN2O/c1-3-12-9-17-10(2)8-16(12)13-6-4-5-11(7-14)15-13/h4-6,10,12H,3,7-9H2,1-2H3
InChIKeyVWDSMFUAFNXAGM-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.82
Rot. Bonds3

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

4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine (PubChem CID 62254121) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine
PubChem CID62254121
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1cccc(CCl)n1
InChIInChI=1S/C13H19ClN2O/c1-3-12-9-17-10(2)8-16(12)13-6-4-5-11(7-14)15-13/h4-6,10,12H,3,7-9H2,1-2H3
InChIKeyVWDSMFUAFNXAGM-UHFFFAOYSA-N
XLogP2.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.82
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-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine (CID 62254121) is 4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1c1cccc(CCl)n1.
What is the InChIKey of 4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The InChIKey is VWDSMFUAFNXAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-12-9-17-10(2)8-16(12)13-6-4-5-11(7-14)15-13/h4-6,10,12H,3,7-9H2,1-2H3.
What are the key properties of 4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine?
4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine has a molecular weight of 254.76 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 62254121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).