magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide

C10H14BrMgNO — CID 10923556

IUPACmagnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide
SMILESCN(C)CCOc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C10H14NO.BrH.Mg/c1-11(2)8-9-12-10-6-4-3-5-7-10;;/h4-7H,8-9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLXODZAMZIUOBFS-UHFFFAOYSA-M
MW268.44 g/mol
LogP-1.95
Rot. Bonds4

About magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide

magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide (PubChem CID 10923556) has the molecular formula C10H14BrMgNO and a molecular weight of 268.44 g/mol. Its IUPAC name is magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide.

Molecular Properties

Compound Namemagnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide
PubChem CID10923556
Molecular FormulaC10H14BrMgNO
Molecular Weight268.44 g/mol
Exact Mass267.01
IUPAC Namemagnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide
SMILESCN(C)CCOc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C10H14NO.BrH.Mg/c1-11(2)8-9-12-10-6-4-3-5-7-10;;/h4-7H,8-9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLXODZAMZIUOBFS-UHFFFAOYSA-M
XLogP-1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-(2-(Diethylamino)ethoxy)phenylmagnesium bromide
CID 13600839
bromozinc(1+);N,N-dimethyl-2-(phenoxy)ethanamine
CID 11809046
3-Ethoxy-2-dimethylaminopyran
CID 129813457
N-fluoro-N-methyl-2-[(3E)-penta-1,3-dien-3-yl]oxyethanamine
CID 172599685
Magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine
CID 21355747
(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)magnesium bromide, 0.25 M in THF
CID 57349196
magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride
CID 59959738
2-buta-1,3-dien-2-yloxy-N,N-dimethylethanamine
CID 60138442
Magnesium bromide 4-[2-(diethylamino)ethoxy]benzen-1-ide (1/1/1)
CID 73185304
Magnesium bromide 4-[2-(pyrrolidin-1-yl)ethoxy]benzen-1-ide (1/1/1)
CID 76518948
2-[(2Z,4Z)-hexa-2,4-dienoxy]-N,N-dimethylethanamine
CID 117986318
2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine
CID 123967594

Frequently Asked Questions

What is the IUPAC name of magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide?
The IUPAC name of magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide (CID 10923556) is magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide.
What is the SMILES notation for magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide?
The canonical SMILES for magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide is CN(C)CCOc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide?
The InChIKey is LXODZAMZIUOBFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14NO.BrH.Mg/c1-11(2)8-9-12-10-6-4-3-5-7-10;;/h4-7H,8-9H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide?
magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide has a molecular weight of 268.44 g/mol, XLogP of -1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;bromide is sourced from PubChem (CID 10923556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).