2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine

C13H16BrN3 — CID 82901988

IUPAC2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)c1cncn1C
InChIInChI=1S/C13H16BrN3/c1-15-12(13-8-16-9-17(13)2)7-10-5-3-4-6-11(10)14/h3-6,8-9,12,15H,7H2,1-2H3
InChIKeyVGYXVLGOSHVTRZ-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine

2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 82901988) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID82901988
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)c1cncn1C
InChIInChI=1S/C13H16BrN3/c1-15-12(13-8-16-9-17(13)2)7-10-5-3-4-6-11(10)14/h3-6,8-9,12,15H,7H2,1-2H3
InChIKeyVGYXVLGOSHVTRZ-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
CID 66117358
2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82903436
2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
CID 63976182
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82896332
N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
CID 82903143
2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105087401
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine (CID 82901988) is 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine is CNC(Cc1ccccc1Br)c1cncn1C.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is VGYXVLGOSHVTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-15-12(13-8-16-9-17(13)2)7-10-5-3-4-6-11(10)14/h3-6,8-9,12,15H,7H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 82901988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).