2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine

C15H26F3NO2 — CID 62724161

IUPAC2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCOCCNCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NO2/c1-20-7-5-19-10-14(4-6-21-11-15(16,17)18)9-12-2-3-13(14)8-12/h12-13,19H,2-11H2,1H3
InChIKeyZTJRMUUEJUBRSX-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.00
Rot. Bonds9

About 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine

2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (PubChem CID 62724161) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
PubChem CID62724161
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCOCCNCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C15H26F3NO2/c1-20-7-5-19-10-14(4-6-21-11-15(16,17)18)9-12-2-3-13(14)8-12/h12-13,19H,2-11H2,1H3
InChIKeyZTJRMUUEJUBRSX-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (CID 62724161) is 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is COCCNCC1(CCOCC(F)(F)F)CC2CCC1C2.
What is the InChIKey of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The InChIKey is ZTJRMUUEJUBRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-20-7-5-19-10-14(4-6-21-11-15(16,17)18)9-12-2-3-13(14)8-12/h12-13,19H,2-11H2,1H3.
What are the key properties of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine has a molecular weight of 309.37 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is sourced from PubChem (CID 62724161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).