2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid

C8H16F3NO4 — CID 22623606

IUPAC2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid
SMILESCOCCNCCOC.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15NO2.C2HF3O2/c1-8-5-3-7-4-6-9-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7)
InChIKeyMJLHXVZVYAUERW-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.50
Rot. Bonds6

About 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid

2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 22623606) has the molecular formula C8H16F3NO4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid
PubChem CID22623606
Molecular FormulaC8H16F3NO4
Molecular Weight247.21 g/mol
Exact Mass247.10
IUPAC Name2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid
SMILESCOCCNCCOC.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15NO2.C2HF3O2/c1-8-5-3-7-4-6-9-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7)
InChIKeyMJLHXVZVYAUERW-UHFFFAOYSA-N
XLogP0.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid (CID 22623606) is 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid is COCCNCCOC.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is MJLHXVZVYAUERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C2HF3O2/c1-8-5-3-7-4-6-9-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7).
What are the key properties of 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid?
2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 247.21 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22623606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).