2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine

C11H18F3N3O2 — CID 103150873

IUPAC2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CCOCC(F)(F)F)[nH]1
InChIInChI=1S/C11H18F3N3O2/c1-18-5-3-15-6-9-7-16-10(17-9)2-4-19-8-11(12,13)14/h7,15H,2-6,8H2,1H3,(H,16,17)
InChIKeyLQSOALHDVZKILK-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.27
Rot. Bonds9

About 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine

2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 103150873) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID103150873
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CCOCC(F)(F)F)[nH]1
InChIInChI=1S/C11H18F3N3O2/c1-18-5-3-15-6-9-7-16-10(17-9)2-4-19-8-11(12,13)14/h7,15H,2-6,8H2,1H3,(H,16,17)
InChIKeyLQSOALHDVZKILK-UHFFFAOYSA-N
XLogP1.27
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
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 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine (CID 103150873) is 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine is COCCNCc1cnc(CCOCC(F)(F)F)[nH]1.
What is the InChIKey of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is LQSOALHDVZKILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-18-5-3-15-6-9-7-16-10(17-9)2-4-19-8-11(12,13)14/h7,15H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103150873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).