N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine

C11H18F3N3O — CID 79985331

IUPACN-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCOCC(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3O/c1-2-15-4-3-10-7-17(9-16-10)5-6-18-8-11(12,13)14/h7,9,15H,2-6,8H2,1H3
InChIKeyPZUSDTBRRWLMHB-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.61
Rot. Bonds8

About N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine

N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine (PubChem CID 79985331) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine
PubChem CID79985331
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCOCC(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3O/c1-2-15-4-3-10-7-17(9-16-10)5-6-18-8-11(12,13)14/h7,9,15H,2-6,8H2,1H3
InChIKeyPZUSDTBRRWLMHB-UHFFFAOYSA-N
XLogP1.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.61
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 N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine (CID 79985331) is N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine is CCNCCc1cn(CCOCC(F)(F)F)cn1.
What is the InChIKey of N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is PZUSDTBRRWLMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-15-4-3-10-7-17(9-16-10)5-6-18-8-11(12,13)14/h7,9,15H,2-6,8H2,1H3.
What are the key properties of N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine?
N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79985331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).