2-chloro-2-ethylmorpholine;hydrochloride

C6H13Cl2NO — CID 174494069

IUPAC2-chloro-2-ethylmorpholine;hydrochloride
SMILESCCC1(Cl)CNCCO1.Cl
InChIInChI=1S/C6H12ClNO.ClH/c1-2-6(7)5-8-3-4-9-6;/h8H,2-5H2,1H3;1H
InChIKeyIEIUDCXNZPLTQG-UHFFFAOYSA-N
MW186.08 g/mol
LogP1.37
Rot. Bonds1

About 2-chloro-2-ethylmorpholine;hydrochloride

2-chloro-2-ethylmorpholine;hydrochloride (PubChem CID 174494069) has the molecular formula C6H13Cl2NO and a molecular weight of 186.08 g/mol. Its IUPAC name is 2-chloro-2-ethylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-chloro-2-ethylmorpholine;hydrochloride
PubChem CID174494069
Molecular FormulaC6H13Cl2NO
Molecular Weight186.08 g/mol
Exact Mass185.04
IUPAC Name2-chloro-2-ethylmorpholine;hydrochloride
SMILESCCC1(Cl)CNCCO1.Cl
InChIInChI=1S/C6H12ClNO.ClH/c1-2-6(7)5-8-3-4-9-6;/h8H,2-5H2,1H3;1H
InChIKeyIEIUDCXNZPLTQG-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2-methylmorpholin-2-yl)methanol
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2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
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2,2-diiodomorpholine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-ethylmorpholine;hydrochloride?
The IUPAC name of 2-chloro-2-ethylmorpholine;hydrochloride (CID 174494069) is 2-chloro-2-ethylmorpholine;hydrochloride.
What is the SMILES notation for 2-chloro-2-ethylmorpholine;hydrochloride?
The canonical SMILES for 2-chloro-2-ethylmorpholine;hydrochloride is CCC1(Cl)CNCCO1.Cl.
What is the InChIKey of 2-chloro-2-ethylmorpholine;hydrochloride?
The InChIKey is IEIUDCXNZPLTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO.ClH/c1-2-6(7)5-8-3-4-9-6;/h8H,2-5H2,1H3;1H.
What are the key properties of 2-chloro-2-ethylmorpholine;hydrochloride?
2-chloro-2-ethylmorpholine;hydrochloride has a molecular weight of 186.08 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-ethylmorpholine;hydrochloride is sourced from PubChem (CID 174494069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).