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

C10H14ClMgNO — CID 59959738

IUPACmagnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride
SMILESCN(C)CCOc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C10H14NO.ClH.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
InChIKeyFUQDCUBHRFSJML-UHFFFAOYSA-M
MW223.99 g/mol
LogP-1.95
Rot. Bonds4

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

magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride (PubChem CID 59959738) has the molecular formula C10H14ClMgNO and a molecular weight of 223.99 g/mol. Its IUPAC name is magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride.

Molecular Properties

Compound Namemagnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride
PubChem CID59959738
Molecular FormulaC10H14ClMgNO
Molecular Weight223.99 g/mol
Exact Mass223.06
IUPAC Namemagnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride
SMILESCN(C)CCOc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C10H14NO.ClH.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
InChIKeyFUQDCUBHRFSJML-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 ≤ 500223.99
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

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CID 13600839
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CID 11809046
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CID 129813457
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CID 172599685
CID 172599685
CID 21355747
CID 21355747
CID 60138442
CID 60138442
CID 73185304
CID 73185304
CID 87528523
CID 87528523
CID 87528633
CID 87528633
CID 117986318
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CID 123383310
CID 123383310

Frequently Asked Questions

What is the IUPAC name of magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride?
The IUPAC name of magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride (CID 59959738) is magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride.
What is the SMILES notation for magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride?
The canonical SMILES for magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride is CN(C)CCOc1cc[c-]cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride?
The InChIKey is FUQDCUBHRFSJML-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14NO.ClH.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;chloride?
magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride has a molecular weight of 223.99 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;chloride is sourced from PubChem (CID 59959738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).