2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine

C11H20FN3 — CID 143162873

IUPAC2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine
SMILESCCN(CCF)CCc1nc(C)[nH]c1C
InChIInChI=1S/C11H20FN3/c1-4-15(8-6-12)7-5-11-9(2)13-10(3)14-11/h4-8H2,1-3H3,(H,13,14)
InChIKeyZADPOGIVHSNKJG-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.86
Rot. Bonds6

About 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine

2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine (PubChem CID 143162873) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine
PubChem CID143162873
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine
SMILESCCN(CCF)CCc1nc(C)[nH]c1C
InChIInChI=1S/C11H20FN3/c1-4-15(8-6-12)7-5-11-9(2)13-10(3)14-11/h4-8H2,1-3H3,(H,13,14)
InChIKeyZADPOGIVHSNKJG-UHFFFAOYSA-N
XLogP1.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine?
The IUPAC name of 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine (CID 143162873) is 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine is CCN(CCF)CCc1nc(C)[nH]c1C.
What is the InChIKey of 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine?
The InChIKey is ZADPOGIVHSNKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-4-15(8-6-12)7-5-11-9(2)13-10(3)14-11/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine?
2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine has a molecular weight of 213.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-imidazol-4-yl)-N-ethyl-N-(2-fluoroethyl)ethanamine is sourced from PubChem (CID 143162873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).