2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine

C15H31N2O4P — CID 21040814

IUPAC2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine
SMILESCCC1CN(P(C)(=O)OCC2CN(C)CC(C)O2)CC(C)O1
InChIInChI=1S/C15H31N2O4P/c1-6-14-10-17(8-13(3)20-14)22(5,18)19-11-15-9-16(4)7-12(2)21-15/h12-15H,6-11H2,1-5H3
InChIKeyVODZNXMYUCTDHE-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.04
Rot. Bonds5

About 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine

2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine (PubChem CID 21040814) has the molecular formula C15H31N2O4P and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine.

Molecular Properties

Compound Name2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine
PubChem CID21040814
Molecular FormulaC15H31N2O4P
Molecular Weight334.40 g/mol
Exact Mass334.20
IUPAC Name2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine
SMILESCCC1CN(P(C)(=O)OCC2CN(C)CC(C)O2)CC(C)O1
InChIInChI=1S/C15H31N2O4P/c1-6-14-10-17(8-13(3)20-14)22(5,18)19-11-15-9-16(4)7-12(2)21-15/h12-15H,6-11H2,1-5H3
InChIKeyVODZNXMYUCTDHE-UHFFFAOYSA-N
XLogP2.04
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine?
The IUPAC name of 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine (CID 21040814) is 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine.
What is the SMILES notation for 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine?
The canonical SMILES for 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine is CCC1CN(P(C)(=O)OCC2CN(C)CC(C)O2)CC(C)O1.
What is the InChIKey of 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine?
The InChIKey is VODZNXMYUCTDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2O4P/c1-6-14-10-17(8-13(3)20-14)22(5,18)19-11-15-9-16(4)7-12(2)21-15/h12-15H,6-11H2,1-5H3.
What are the key properties of 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine?
2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine has a molecular weight of 334.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethyl-6-methylmorpholin-4-yl)-methylphosphoryl]oxymethyl]-4,6-dimethylmorpholine is sourced from PubChem (CID 21040814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).