N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine

C11H18F3N3O — CID 65173136

IUPACN-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-3-15-6-10-7-16-9(2)17(10)4-5-18-8-11(12,13)14/h7,15H,3-6,8H2,1-2H3
InChIKeyYLSWWCAQIUNNDE-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.88
Rot. Bonds7

About N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine

N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 65173136) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine
PubChem CID65173136
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-3-15-6-10-7-16-9(2)17(10)4-5-18-8-11(12,13)14/h7,15H,3-6,8H2,1-2H3
InChIKeyYLSWWCAQIUNNDE-UHFFFAOYSA-N
XLogP1.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.88
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-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine (CID 65173136) is N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cnc(C)n1CCOCC(F)(F)F.
What is the InChIKey of N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is YLSWWCAQIUNNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-3-15-6-10-7-16-9(2)17(10)4-5-18-8-11(12,13)14/h7,15H,3-6,8H2,1-2H3.
What are the key properties of N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine?
N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65173136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).