1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine

C16H22BrN3 — CID 105009162

IUPAC1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1cc(Br)ccc1C
InChIInChI=1S/C16H22BrN3/c1-4-18-15(11-16-19-8-9-20(16)5-2)14-10-13(17)7-6-12(14)3/h6-10,15,18H,4-5,11H2,1-3H3
InChIKeyRKUURJVDXHGFHW-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.87
Rot. Bonds6

About 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine

1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 105009162) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
PubChem CID105009162
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1cc(Br)ccc1C
InChIInChI=1S/C16H22BrN3/c1-4-18-15(11-16-19-8-9-20(16)5-2)14-10-13(17)7-6-12(14)3/h6-10,15,18H,4-5,11H2,1-3H3
InChIKeyRKUURJVDXHGFHW-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012207
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012514
[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105280778
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003000
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105165788
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 107539233
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 107985190
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine
CID 105024448
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine (CID 105009162) is 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine is CCNC(Cc1nccn1CC)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is RKUURJVDXHGFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-4-18-15(11-16-19-8-9-20(16)5-2)14-10-13(17)7-6-12(14)3/h6-10,15,18H,4-5,11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 336.28 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105009162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).