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

C13H16BrN3 — CID 105011679

IUPAC1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCc1ccc(Br)c(C(N)Cc2nccn2C)c1
InChIInChI=1S/C13H16BrN3/c1-9-3-4-11(14)10(7-9)12(15)8-13-16-5-6-17(13)2/h3-7,12H,8,15H2,1-2H3
InChIKeyDXYUGLHNDUXMIZ-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.73
Rot. Bonds3

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

1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105011679) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID105011679
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCc1ccc(Br)c(C(N)Cc2nccn2C)c1
InChIInChI=1S/C13H16BrN3/c1-9-3-4-11(14)10(7-9)12(15)8-13-16-5-6-17(13)2/h3-7,12H,8,15H2,1-2H3
InChIKeyDXYUGLHNDUXMIZ-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-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
2-(1-methylimidazol-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82381092
[1-(2,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322911
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 79752934
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009189
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167671
1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049774
2-(1-methylimidazol-2-yl)-1-quinolin-4-ylethanamine
CID 105167218
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 105011679) is 1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine is Cc1ccc(Br)c(C(N)Cc2nccn2C)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is DXYUGLHNDUXMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-3-4-11(14)10(7-9)12(15)8-13-16-5-6-17(13)2/h3-7,12H,8,15H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(2-bromo-5-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-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105011679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).