2-ethoxy-2-methoxyethanamine

C5H13NO2 — CID 22766278

IUPAC2-ethoxy-2-methoxyethanamine
SMILESCCOC(CN)OC
InChIInChI=1S/C5H13NO2/c1-3-8-5(4-6)7-2/h5H,3-4,6H2,1-2H3
InChIKeyVACMUMPQXACGGR-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.05
Rot. Bonds4

About 2-ethoxy-2-methoxyethanamine

2-ethoxy-2-methoxyethanamine (PubChem CID 22766278) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-ethoxy-2-methoxyethanamine.

Molecular Properties

Compound Name2-ethoxy-2-methoxyethanamine
PubChem CID22766278
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2-ethoxy-2-methoxyethanamine
SMILESCCOC(CN)OC
InChIInChI=1S/C5H13NO2/c1-3-8-5(4-6)7-2/h5H,3-4,6H2,1-2H3
InChIKeyVACMUMPQXACGGR-UHFFFAOYSA-N
XLogP-0.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methoxyethanamine?
The IUPAC name of 2-ethoxy-2-methoxyethanamine (CID 22766278) is 2-ethoxy-2-methoxyethanamine.
What is the SMILES notation for 2-ethoxy-2-methoxyethanamine?
The canonical SMILES for 2-ethoxy-2-methoxyethanamine is CCOC(CN)OC.
What is the InChIKey of 2-ethoxy-2-methoxyethanamine?
The InChIKey is VACMUMPQXACGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-3-8-5(4-6)7-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-ethoxy-2-methoxyethanamine?
2-ethoxy-2-methoxyethanamine has a molecular weight of 119.16 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methoxyethanamine is sourced from PubChem (CID 22766278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).