magnesium;N-ethylaniline;dibromide

C8H11Br2MgN — CID 175384218

IUPACmagnesium;N-ethylaniline;dibromide
SMILESCCNc1ccccc1.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C8H11N.2BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;;/h3-7,9H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyVQKUPBBVDGYCLP-UHFFFAOYSA-L
MW305.30 g/mol
LogP-4.25
Rot. Bonds2

About magnesium;N-ethylaniline;dibromide

magnesium;N-ethylaniline;dibromide (PubChem CID 175384218) has the molecular formula C8H11Br2MgN and a molecular weight of 305.30 g/mol. Its IUPAC name is magnesium;N-ethylaniline;dibromide.

Molecular Properties

Compound Namemagnesium;N-ethylaniline;dibromide
PubChem CID175384218
Molecular FormulaC8H11Br2MgN
Molecular Weight305.30 g/mol
Exact Mass302.91
IUPAC Namemagnesium;N-ethylaniline;dibromide
SMILESCCNc1ccccc1.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C8H11N.2BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;;/h3-7,9H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyVQKUPBBVDGYCLP-UHFFFAOYSA-L
XLogP-4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 5-4.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze magnesium;N-ethylaniline;dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethylaniline;formamide
CID 174905180
bis(N-ethylaniline);sulfuric acid
CID 172710683
N-ethylaniline;propanedioic acid
CID 67742199
N-ethylaniline;thiirene 1,1-dioxide
CID 69248918
bis(N-ethylaniline);sulfuric acid;dihydrate
CID 172803236
N-ethylaniline;4-phenylphenol
CID 174974376
N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol
CID 174909263
N-propylaniline
CID 12153
4-diphenylphosphinoselenoyl-N-ethylaniline
CID 13027615
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
3-but-3-en-2-yloxybut-1-ene;N-ethylaniline
CID 66648742
4-(benzenesulfonyl)-N-ethylaniline
CID 10849008

Frequently Asked Questions

What is the IUPAC name of magnesium;N-ethylaniline;dibromide?
The IUPAC name of magnesium;N-ethylaniline;dibromide (CID 175384218) is magnesium;N-ethylaniline;dibromide.
What is the SMILES notation for magnesium;N-ethylaniline;dibromide?
The canonical SMILES for magnesium;N-ethylaniline;dibromide is CCNc1ccccc1.[Br-].[Br-].[Mg+2].
What is the InChIKey of magnesium;N-ethylaniline;dibromide?
The InChIKey is VQKUPBBVDGYCLP-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11N.2BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;;/h3-7,9H,2H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;N-ethylaniline;dibromide?
magnesium;N-ethylaniline;dibromide has a molecular weight of 305.30 g/mol, XLogP of -4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N-ethylaniline;dibromide is sourced from PubChem (CID 175384218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).