4-(3-chloropropyl)-2-ethylmorpholine

C9H18ClNO — CID 58219835

IUPAC4-(3-chloropropyl)-2-ethylmorpholine
SMILESCCC1CN(CCCCl)CCO1
InChIInChI=1S/C9H18ClNO/c1-2-9-8-11(5-3-4-10)6-7-12-9/h9H,2-8H2,1H3
InChIKeyVMNRHLODALCDML-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds4

About 4-(3-chloropropyl)-2-ethylmorpholine

4-(3-chloropropyl)-2-ethylmorpholine (PubChem CID 58219835) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2-ethylmorpholine.

Molecular Properties

Compound Name4-(3-chloropropyl)-2-ethylmorpholine
PubChem CID58219835
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-(3-chloropropyl)-2-ethylmorpholine
SMILESCCC1CN(CCCCl)CCO1
InChIInChI=1S/C9H18ClNO/c1-2-9-8-11(5-3-4-10)6-7-12-9/h9H,2-8H2,1H3
InChIKeyVMNRHLODALCDML-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.73
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 4-(3-chloropropyl)-2-ethylmorpholine?
The IUPAC name of 4-(3-chloropropyl)-2-ethylmorpholine (CID 58219835) is 4-(3-chloropropyl)-2-ethylmorpholine.
What is the SMILES notation for 4-(3-chloropropyl)-2-ethylmorpholine?
The canonical SMILES for 4-(3-chloropropyl)-2-ethylmorpholine is CCC1CN(CCCCl)CCO1.
What is the InChIKey of 4-(3-chloropropyl)-2-ethylmorpholine?
The InChIKey is VMNRHLODALCDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-2-9-8-11(5-3-4-10)6-7-12-9/h9H,2-8H2,1H3.
What are the key properties of 4-(3-chloropropyl)-2-ethylmorpholine?
4-(3-chloropropyl)-2-ethylmorpholine has a molecular weight of 191.70 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-2-ethylmorpholine is sourced from PubChem (CID 58219835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).