magnesium;N-methylaniline;bromide

C7H9BrMgN+ — CID 173157225

IUPACmagnesium;N-methylaniline;bromide
SMILESCNc1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H9N.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h2-6,8H,1H3;1H;/q;;+2/p-1
InChIKeyIVJXTWPPBIAFQG-UHFFFAOYSA-M
MW211.37 g/mol
LogP-1.65
Rot. Bonds1

About magnesium;N-methylaniline;bromide

magnesium;N-methylaniline;bromide (PubChem CID 173157225) has the molecular formula C7H9BrMgN+ and a molecular weight of 211.37 g/mol. Its IUPAC name is magnesium;N-methylaniline;bromide.

Molecular Properties

Compound Namemagnesium;N-methylaniline;bromide
PubChem CID173157225
Molecular FormulaC7H9BrMgN+
Molecular Weight211.37 g/mol
Exact Mass209.98
IUPAC Namemagnesium;N-methylaniline;bromide
SMILESCNc1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H9N.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h2-6,8H,1H3;1H;/q;;+2/p-1
InChIKeyIVJXTWPPBIAFQG-UHFFFAOYSA-M
XLogP-1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of magnesium;N-methylaniline;bromide?
The IUPAC name of magnesium;N-methylaniline;bromide (CID 173157225) is magnesium;N-methylaniline;bromide.
What is the SMILES notation for magnesium;N-methylaniline;bromide?
The canonical SMILES for magnesium;N-methylaniline;bromide is CNc1ccccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;N-methylaniline;bromide?
The InChIKey is IVJXTWPPBIAFQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h2-6,8H,1H3;1H;/q;;+2/p-1.
What are the key properties of magnesium;N-methylaniline;bromide?
magnesium;N-methylaniline;bromide has a molecular weight of 211.37 g/mol, XLogP of -1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N-methylaniline;bromide is sourced from PubChem (CID 173157225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).