magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride

C11H16ClMgNO — CID 87528633

IUPACmagnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride
SMILESCN(C)CCCOc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C11H16NO.ClH.Mg/c1-12(2)9-6-10-13-11-7-4-3-5-8-11;;/h4-5,7-8H,6,9-10H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKCMDVNHYAAZPMJ-UHFFFAOYSA-M
MW238.01 g/mol
LogP-1.56
Rot. Bonds5

About magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride

magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride (PubChem CID 87528633) has the molecular formula C11H16ClMgNO and a molecular weight of 238.01 g/mol. Its IUPAC name is magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride.

Molecular Properties

Compound Namemagnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride
PubChem CID87528633
Molecular FormulaC11H16ClMgNO
Molecular Weight238.01 g/mol
Exact Mass237.08
IUPAC Namemagnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride
SMILESCN(C)CCCOc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C11H16NO.ClH.Mg/c1-12(2)9-6-10-13-11-7-4-3-5-8-11;;/h4-5,7-8H,6,9-10H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKCMDVNHYAAZPMJ-UHFFFAOYSA-M
XLogP-1.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.01
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride?
The IUPAC name of magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride (CID 87528633) is magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride.
What is the SMILES notation for magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride?
The canonical SMILES for magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride is CN(C)CCCOc1cc[c-]cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride?
The InChIKey is KCMDVNHYAAZPMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16NO.ClH.Mg/c1-12(2)9-6-10-13-11-7-4-3-5-8-11;;/h4-5,7-8H,6,9-10H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride?
magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride has a molecular weight of 238.01 g/mol, XLogP of -1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride is sourced from PubChem (CID 87528633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).