2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine

C13H24F3NO3 — CID 62906116

IUPAC2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C13H24F3NO3/c1-18-9-5-17-10-12(2-6-19-7-3-12)4-8-20-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeyRTHAYEILPBGNGV-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.99
Rot. Bonds9

About 2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine

2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine (PubChem CID 62906116) has the molecular formula C13H24F3NO3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine
PubChem CID62906116
Molecular FormulaC13H24F3NO3
Molecular Weight299.33 g/mol
Exact Mass299.17
IUPAC Name2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C13H24F3NO3/c1-18-9-5-17-10-12(2-6-19-7-3-12)4-8-20-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeyRTHAYEILPBGNGV-UHFFFAOYSA-N
XLogP1.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine (CID 62906116) is 2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine is COCCNCC1(CCOCC(F)(F)F)CCOCC1.
What is the InChIKey of 2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is RTHAYEILPBGNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO3/c1-18-9-5-17-10-12(2-6-19-7-3-12)4-8-20-11-13(14,15)16/h17H,2-11H2,1H3.
What are the key properties of 2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine?
2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 299.33 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62906116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).