1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride

C10H19Cl4NOPd — CID 173355754

IUPAC1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
SMILESCNCC(C)(O)c1ccccc1.Cl.Cl.Cl.Cl.[Pd]
InChIInChI=1S/C10H15NO.4ClH.Pd/c1-10(12,8-11-2)9-6-4-3-5-7-9;;;;;/h3-7,11-12H,8H2,1-2H3;4*1H;
InChIKeyIMUKGORTWPFPQG-UHFFFAOYSA-N
MW417.50 g/mol
LogP2.80
Rot. Bonds3

About 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride

1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride (PubChem CID 173355754) has the molecular formula C10H19Cl4NOPd and a molecular weight of 417.50 g/mol. Its IUPAC name is 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride.

Molecular Properties

Compound Name1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
PubChem CID173355754
Molecular FormulaC10H19Cl4NOPd
Molecular Weight417.50 g/mol
Exact Mass414.93
IUPAC Name1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
SMILESCNCC(C)(O)c1ccccc1.Cl.Cl.Cl.Cl.[Pd]
InChIInChI=1S/C10H15NO.4ClH.Pd/c1-10(12,8-11-2)9-6-4-3-5-7-9;;;;;/h3-7,11-12H,8H2,1-2H3;4*1H;
InChIKeyIMUKGORTWPFPQG-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride?
The IUPAC name of 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride (CID 173355754) is 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride.
What is the SMILES notation for 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride?
The canonical SMILES for 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride is CNCC(C)(O)c1ccccc1.Cl.Cl.Cl.Cl.[Pd].
What is the InChIKey of 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride?
The InChIKey is IMUKGORTWPFPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.4ClH.Pd/c1-10(12,8-11-2)9-6-4-3-5-7-9;;;;;/h3-7,11-12H,8H2,1-2H3;4*1H;.
What are the key properties of 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride?
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride has a molecular weight of 417.50 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride is sourced from PubChem (CID 173355754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).