2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine

C15H28F3NO2 — CID 62725384

IUPAC2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C15H28F3NO2/c1-20-11-9-19-12-14(6-3-2-4-7-14)8-5-10-21-13-15(16,17)18/h19H,2-13H2,1H3
InChIKeyHILWFIPMDFNSIJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.53
Rot. Bonds10

About 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine

2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine (PubChem CID 62725384) has the molecular formula C15H28F3NO2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
PubChem CID62725384
Molecular FormulaC15H28F3NO2
Molecular Weight311.39 g/mol
Exact Mass311.21
IUPAC Name2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C15H28F3NO2/c1-20-11-9-19-12-14(6-3-2-4-7-14)8-5-10-21-13-15(16,17)18/h19H,2-13H2,1H3
InChIKeyHILWFIPMDFNSIJ-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.53
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-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine (CID 62725384) is 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine is COCCNCC1(CCCOCC(F)(F)F)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
The InChIKey is HILWFIPMDFNSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO2/c1-20-11-9-19-12-14(6-3-2-4-7-14)8-5-10-21-13-15(16,17)18/h19H,2-13H2,1H3.
What are the key properties of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine has a molecular weight of 311.39 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62725384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).