2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C11H22F3NO2 — CID 55218821

IUPAC2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(C)CCOCCNCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-10(2)3-6-16-7-4-15-5-8-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyKFEBJXUINNFODE-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.22
Rot. Bonds10

About 2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 55218821) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID55218821
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(C)CCOCCNCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-10(2)3-6-16-7-4-15-5-8-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyKFEBJXUINNFODE-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.22
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-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 55218821) is 2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CC(C)CCOCCNCCOCC(F)(F)F.
What is the InChIKey of 2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is KFEBJXUINNFODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-10(2)3-6-16-7-4-15-5-8-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 257.30 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 55218821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).