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

C13H20ClMgNO — CID 87528523

IUPACmagnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride
SMILESCCN(CC)CCCOc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C13H20NO.ClH.Mg/c1-3-14(4-2)11-8-12-15-13-9-6-5-7-10-13;;/h6-7,9-10H,3-4,8,11-12H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyUYEGUKNXFNQMSR-UHFFFAOYSA-M
MW266.07 g/mol
LogP-0.78
Rot. Bonds7

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

magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride (PubChem CID 87528523) has the molecular formula C13H20ClMgNO and a molecular weight of 266.07 g/mol. Its IUPAC name is magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride.

Molecular Properties

Compound Namemagnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride
PubChem CID87528523
Molecular FormulaC13H20ClMgNO
Molecular Weight266.07 g/mol
Exact Mass265.11
IUPAC Namemagnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride
SMILESCCN(CC)CCCOc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C13H20NO.ClH.Mg/c1-3-14(4-2)11-8-12-15-13-9-6-5-7-10-13;;/h6-7,9-10H,3-4,8,11-12H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyUYEGUKNXFNQMSR-UHFFFAOYSA-M
XLogP-0.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 5-0.78
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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Related Compounds

4-(2-(Diethylamino)ethoxy)phenylmagnesium bromide
CID 13600839
magnesium;N,N-dimethyl-4-(phenoxy)butan-1-amine;chloride
CID 58969108
magnesium;N,N-dimethyl-4-(phenoxy)butan-1-amine;chloride
CID 58969110
magnesium;N,N-dimethyl-2-(phenoxy)ethanamine;chloride
CID 59959738
Magnesium bromide 4-[2-(diethylamino)ethoxy]benzen-1-ide (1/1/1)
CID 73185304
magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride
CID 87528633
3-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 141976049
ethane;3-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 141976054
N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene
CID 142845365
N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypropan-1-amine;ethane
CID 143824321
1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
CID 146604716
butyl(triethyl)azanium;2H-pyran
CID 158370510

Frequently Asked Questions

What is the IUPAC name of magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride?
The IUPAC name of magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride (CID 87528523) is magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride.
What is the SMILES notation for magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride?
The canonical SMILES for magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride is CCN(CC)CCCOc1cc[c-]cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride?
The InChIKey is UYEGUKNXFNQMSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20NO.ClH.Mg/c1-3-14(4-2)11-8-12-15-13-9-6-5-7-10-13;;/h6-7,9-10H,3-4,8,11-12H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride?
magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride has a molecular weight of 266.07 g/mol, XLogP of -0.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride is sourced from PubChem (CID 87528523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).