1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine

C13H16BrN3 — CID 105011669

IUPAC1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCc1ccc(Br)cc1C(N)Cc1nccn1C
InChIInChI=1S/C13H16BrN3/c1-9-3-4-10(14)7-11(9)12(15)8-13-16-5-6-17(13)2/h3-7,12H,8,15H2,1-2H3
InChIKeyZXKRLBFFMUMRHZ-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.73
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine

1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105011669) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID105011669
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCc1ccc(Br)cc1C(N)Cc1nccn1C
InChIInChI=1S/C13H16BrN3/c1-9-3-4-10(14)7-11(9)12(15)8-13-16-5-6-17(13)2/h3-7,12H,8,15H2,1-2H3
InChIKeyZXKRLBFFMUMRHZ-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 114019331
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 79752934
1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011679
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580367
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
[1-(2,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322911
1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009189
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 105011669) is 1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine is Cc1ccc(Br)cc1C(N)Cc1nccn1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is ZXKRLBFFMUMRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-3-4-10(14)7-11(9)12(15)8-13-16-5-6-17(13)2/h3-7,12H,8,15H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.73, 3 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)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105011669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).