magnesium;3-bromo-N,N-dimethylaniline;hydride

C8H12BrMgN — CID 173417698

IUPACmagnesium;3-bromo-N,N-dimethylaniline;hydride
SMILESCN(C)c1cccc(Br)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H10BrN.Mg.2H/c1-10(2)8-5-3-4-7(9)6-8;;;/h3-6H,1-2H3;;;/q;+2;2*-1
InChIKeyZNTILDAVRBKGHU-UHFFFAOYSA-N
MW226.40 g/mol
LogP2.36
Rot. Bonds1

About magnesium;3-bromo-N,N-dimethylaniline;hydride

magnesium;3-bromo-N,N-dimethylaniline;hydride (PubChem CID 173417698) has the molecular formula C8H12BrMgN and a molecular weight of 226.40 g/mol. Its IUPAC name is magnesium;3-bromo-N,N-dimethylaniline;hydride.

Molecular Properties

Compound Namemagnesium;3-bromo-N,N-dimethylaniline;hydride
PubChem CID173417698
Molecular FormulaC8H12BrMgN
Molecular Weight226.40 g/mol
Exact Mass225.00
IUPAC Namemagnesium;3-bromo-N,N-dimethylaniline;hydride
SMILESCN(C)c1cccc(Br)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H10BrN.Mg.2H/c1-10(2)8-5-3-4-7(9)6-8;;;/h3-6H,1-2H3;;;/q;+2;2*-1
InChIKeyZNTILDAVRBKGHU-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of magnesium;3-bromo-N,N-dimethylaniline;hydride?
The IUPAC name of magnesium;3-bromo-N,N-dimethylaniline;hydride (CID 173417698) is magnesium;3-bromo-N,N-dimethylaniline;hydride.
What is the SMILES notation for magnesium;3-bromo-N,N-dimethylaniline;hydride?
The canonical SMILES for magnesium;3-bromo-N,N-dimethylaniline;hydride is CN(C)c1cccc(Br)c1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;3-bromo-N,N-dimethylaniline;hydride?
The InChIKey is ZNTILDAVRBKGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.Mg.2H/c1-10(2)8-5-3-4-7(9)6-8;;;/h3-6H,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;3-bromo-N,N-dimethylaniline;hydride?
magnesium;3-bromo-N,N-dimethylaniline;hydride has a molecular weight of 226.40 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-bromo-N,N-dimethylaniline;hydride is sourced from PubChem (CID 173417698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).