1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine

C15H18BrF2N3 — CID 107539233

IUPAC1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H18BrF2N3/c1-3-19-12(9-13-20-7-8-21(13)4-2)10-5-6-11(17)15(18)14(10)16/h5-8,12,19H,3-4,9H2,1-2H3
InChIKeyLLRPIIQQLUMPCC-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.84
Rot. Bonds6

About 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine

1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 107539233) has the molecular formula C15H18BrF2N3 and a molecular weight of 358.23 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
PubChem CID107539233
Molecular FormulaC15H18BrF2N3
Molecular Weight358.23 g/mol
Exact Mass357.07
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H18BrF2N3/c1-3-19-12(9-13-20-7-8-21(13)4-2)10-5-6-11(17)15(18)14(10)16/h5-8,12,19H,3-4,9H2,1-2H3
InChIKeyLLRPIIQQLUMPCC-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 79751877
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81301344
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105280778
1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 107538543
1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79752703
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105165788
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 107985190
3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 107539227

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine (CID 107539233) is 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine is CCNC(Cc1nccn1CC)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is LLRPIIQQLUMPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2N3/c1-3-19-12(9-13-20-7-8-21(13)4-2)10-5-6-11(17)15(18)14(10)16/h5-8,12,19H,3-4,9H2,1-2H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 358.23 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 107539233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).