N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine

C11H18F3N3O — CID 55048901

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-9(2)16-7-10-15-3-4-17(10)5-6-18-8-11(12,13)14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyNWIAUVJTKMHQFY-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.96
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine (PubChem CID 55048901) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine
PubChem CID55048901
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-9(2)16-7-10-15-3-4-17(10)5-6-18-8-11(12,13)14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyNWIAUVJTKMHQFY-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine (CID 55048901) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nccn1CCOCC(F)(F)F.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is NWIAUVJTKMHQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-9(2)16-7-10-15-3-4-17(10)5-6-18-8-11(12,13)14/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55048901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).