1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine

C13H16BrN3 — CID 81110287

IUPAC1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1ncc[nH]1)c1cc(C)ccc1Br
InChIInChI=1S/C13H16BrN3/c1-9-3-4-11(14)10(7-9)12(15-2)8-13-16-5-6-17-13/h3-7,12,15H,8H2,1-2H3,(H,16,17)
InChIKeyQHLTXOWTYZLMDD-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine

1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine (PubChem CID 81110287) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
PubChem CID81110287
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1ncc[nH]1)c1cc(C)ccc1Br
InChIInChI=1S/C13H16BrN3/c1-9-3-4-11(14)10(7-9)12(15-2)8-13-16-5-6-17-13/h3-7,12,15H,8H2,1-2H3,(H,16,17)
InChIKeyQHLTXOWTYZLMDD-UHFFFAOYSA-N
XLogP2.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487053
1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43805254
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014961
1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 80536178
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487055
1-(2,5-dimethylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61082230
1-(2,5-dimethylphenyl)-3-(1H-imidazol-2-yl)-N-methylpropan-2-amine
CID 62538180
2-(1H-imidazol-2-yl)-N-methyl-1-(1H-pyrazol-5-yl)ethanamine
CID 82239716
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
1-(2-fluoro-5-methylphenyl)-2-(1H-imidazol-2-yl)ethanamine
CID 62516018

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine (CID 81110287) is 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine is CNC(Cc1ncc[nH]1)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The InChIKey is QHLTXOWTYZLMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-3-4-11(14)10(7-9)12(15-2)8-13-16-5-6-17-13/h3-7,12,15H,8H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 81110287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).