(3S)-3-ethoxy-4-methylmorpholine;hydrochloride

C7H16ClNO2 — CID 159817733

IUPAC(3S)-3-ethoxy-4-methylmorpholine;hydrochloride
SMILESCCO[C@H]1COCCN1C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-10-7-6-9-5-4-8(7)2;/h7H,3-6H2,1-2H3;1H/t7-;/m0./s1
InChIKeyUSDGTVSQGPLXAV-FJXQXJEOSA-N
MW181.66 g/mol
LogP0.73
Rot. Bonds2

About (3S)-3-ethoxy-4-methylmorpholine;hydrochloride

(3S)-3-ethoxy-4-methylmorpholine;hydrochloride (PubChem CID 159817733) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (3S)-3-ethoxy-4-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-ethoxy-4-methylmorpholine;hydrochloride
PubChem CID159817733
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(3S)-3-ethoxy-4-methylmorpholine;hydrochloride
SMILESCCO[C@H]1COCCN1C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-10-7-6-9-5-4-8(7)2;/h7H,3-6H2,1-2H3;1H/t7-;/m0./s1
InChIKeyUSDGTVSQGPLXAV-FJXQXJEOSA-N
XLogP0.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-4-methylmorpholine;hydrochloride?
The IUPAC name of (3S)-3-ethoxy-4-methylmorpholine;hydrochloride (CID 159817733) is (3S)-3-ethoxy-4-methylmorpholine;hydrochloride.
What is the SMILES notation for (3S)-3-ethoxy-4-methylmorpholine;hydrochloride?
The canonical SMILES for (3S)-3-ethoxy-4-methylmorpholine;hydrochloride is CCO[C@H]1COCCN1C.Cl.
What is the InChIKey of (3S)-3-ethoxy-4-methylmorpholine;hydrochloride?
The InChIKey is USDGTVSQGPLXAV-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-3-10-7-6-9-5-4-8(7)2;/h7H,3-6H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of (3S)-3-ethoxy-4-methylmorpholine;hydrochloride?
(3S)-3-ethoxy-4-methylmorpholine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-4-methylmorpholine;hydrochloride is sourced from PubChem (CID 159817733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).