2-chloro-4-ethylmorpholine

C6H12ClNO — CID 20539651

IUPAC2-chloro-4-ethylmorpholine
SMILESCCN1CCOC(Cl)C1
InChIInChI=1S/C6H12ClNO/c1-2-8-3-4-9-6(7)5-8/h6H,2-5H2,1H3
InChIKeyKWQSEFYBXWRFLY-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.90
Rot. Bonds1

About 2-chloro-4-ethylmorpholine

2-chloro-4-ethylmorpholine (PubChem CID 20539651) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-chloro-4-ethylmorpholine.

Molecular Properties

Compound Name2-chloro-4-ethylmorpholine
PubChem CID20539651
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-chloro-4-ethylmorpholine
SMILESCCN1CCOC(Cl)C1
InChIInChI=1S/C6H12ClNO/c1-2-8-3-4-9-6(7)5-8/h6H,2-5H2,1H3
InChIKeyKWQSEFYBXWRFLY-UHFFFAOYSA-N
XLogP0.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-4-ethylmorpholine?
The IUPAC name of 2-chloro-4-ethylmorpholine (CID 20539651) is 2-chloro-4-ethylmorpholine.
What is the SMILES notation for 2-chloro-4-ethylmorpholine?
The canonical SMILES for 2-chloro-4-ethylmorpholine is CCN1CCOC(Cl)C1.
What is the InChIKey of 2-chloro-4-ethylmorpholine?
The InChIKey is KWQSEFYBXWRFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-2-8-3-4-9-6(7)5-8/h6H,2-5H2,1H3.
What are the key properties of 2-chloro-4-ethylmorpholine?
2-chloro-4-ethylmorpholine has a molecular weight of 149.62 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylmorpholine is sourced from PubChem (CID 20539651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).