N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H24F3NO2 — CID 63828754

IUPACN-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCOC1CCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-18-9-4-7-17-8-10-19-12-5-2-1-3-6-12/h12,17H,1-11H2
InChIKeyVCGLMSOJXUDCQH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.89
Rot. Bonds9

About N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 63828754) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID63828754
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC NameN-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCOC1CCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-18-9-4-7-17-8-10-19-12-5-2-1-3-6-12/h12,17H,1-11H2
InChIKeyVCGLMSOJXUDCQH-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.89
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 N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 63828754) is N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is VCGLMSOJXUDCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c14-13(15,16)11-18-9-4-7-17-8-10-19-12-5-2-1-3-6-12/h12,17H,1-11H2.
What are the key properties of N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 63828754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).