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

C12H18BrMgNO — CID 73185304

IUPACmagnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide
SMILESCCN(CC)CCOc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C12H18NO.BrH.Mg/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12;;/h6-9H,3-4,10-11H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyXYGRJUDBFQIMDS-UHFFFAOYSA-M
MW296.49 g/mol
LogP-1.17
Rot. Bonds6

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

magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide (PubChem CID 73185304) has the molecular formula C12H18BrMgNO and a molecular weight of 296.49 g/mol. Its IUPAC name is magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide.

Molecular Properties

Compound Namemagnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide
PubChem CID73185304
Molecular FormulaC12H18BrMgNO
Molecular Weight296.49 g/mol
Exact Mass295.04
IUPAC Namemagnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide
SMILESCCN(CC)CCOc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C12H18NO.BrH.Mg/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12;;/h6-9H,3-4,10-11H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyXYGRJUDBFQIMDS-UHFFFAOYSA-M
XLogP-1.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 5-1.17
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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Frequently Asked Questions

What is the IUPAC name of magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide?
The IUPAC name of magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide (CID 73185304) is magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide.
What is the SMILES notation for magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide?
The canonical SMILES for magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide is CCN(CC)CCOc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide?
The InChIKey is XYGRJUDBFQIMDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H18NO.BrH.Mg/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12;;/h6-9H,3-4,10-11H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide?
magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide has a molecular weight of 296.49 g/mol, XLogP of -1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N,N-diethyl-2-(phenoxy)ethanamine;bromide is sourced from PubChem (CID 73185304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).