magnesium;4-(phenylmethyl)morpholine;bromide

C11H14BrMgNO — CID 54711288

IUPACmagnesium;4-(phenylmethyl)morpholine;bromide
SMILES[Br-].[Mg+2].[c-]1ccccc1CN1CCOCC1
InChIInChI=1S/C11H14NO.BrH.Mg/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h1-4H,6-10H2;1H;/q-1;;+2/p-1
InChIKeyNWGRMLFTJZVEAO-UHFFFAOYSA-M
MW280.45 g/mol
LogP-2.06
Rot. Bonds2

About magnesium;4-(phenylmethyl)morpholine;bromide

magnesium;4-(phenylmethyl)morpholine;bromide (PubChem CID 54711288) has the molecular formula C11H14BrMgNO and a molecular weight of 280.45 g/mol. Its IUPAC name is magnesium;4-(phenylmethyl)morpholine;bromide.

Molecular Properties

Compound Namemagnesium;4-(phenylmethyl)morpholine;bromide
PubChem CID54711288
Molecular FormulaC11H14BrMgNO
Molecular Weight280.45 g/mol
Exact Mass279.01
IUPAC Namemagnesium;4-(phenylmethyl)morpholine;bromide
SMILES[Br-].[Mg+2].[c-]1ccccc1CN1CCOCC1
InChIInChI=1S/C11H14NO.BrH.Mg/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h1-4H,6-10H2;1H;/q-1;;+2/p-1
InChIKeyNWGRMLFTJZVEAO-UHFFFAOYSA-M
XLogP-2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 5-2.06
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;4-(phenylmethyl)morpholine;bromide?
The IUPAC name of magnesium;4-(phenylmethyl)morpholine;bromide (CID 54711288) is magnesium;4-(phenylmethyl)morpholine;bromide.
What is the SMILES notation for magnesium;4-(phenylmethyl)morpholine;bromide?
The canonical SMILES for magnesium;4-(phenylmethyl)morpholine;bromide is [Br-].[Mg+2].[c-]1ccccc1CN1CCOCC1.
What is the InChIKey of magnesium;4-(phenylmethyl)morpholine;bromide?
The InChIKey is NWGRMLFTJZVEAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14NO.BrH.Mg/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h1-4H,6-10H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;4-(phenylmethyl)morpholine;bromide?
magnesium;4-(phenylmethyl)morpholine;bromide has a molecular weight of 280.45 g/mol, XLogP of -2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-(phenylmethyl)morpholine;bromide is sourced from PubChem (CID 54711288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).