2-(2-methanidylphenyl)ethanamine;palladium

C9H12NPd- — CID 175142647

IUPAC2-(2-methanidylphenyl)ethanamine;palladium
SMILES[CH2-]c1ccccc1CCN.[Pd]
InChIInChI=1S/C9H12N.Pd/c1-8-4-2-3-5-9(8)6-7-10;/h2-5H,1,6-7,10H2;/q-1;
InChIKeyDIBWJSFLYUHOBU-UHFFFAOYSA-N
MW240.62 g/mol
LogP1.37
Rot. Bonds2

About 2-(2-methanidylphenyl)ethanamine;palladium

2-(2-methanidylphenyl)ethanamine;palladium (PubChem CID 175142647) has the molecular formula C9H12NPd- and a molecular weight of 240.62 g/mol. Its IUPAC name is 2-(2-methanidylphenyl)ethanamine;palladium.

Molecular Properties

Compound Name2-(2-methanidylphenyl)ethanamine;palladium
PubChem CID175142647
Molecular FormulaC9H12NPd-
Molecular Weight240.62 g/mol
Exact Mass240.00
IUPAC Name2-(2-methanidylphenyl)ethanamine;palladium
SMILES[CH2-]c1ccccc1CCN.[Pd]
InChIInChI=1S/C9H12N.Pd/c1-8-4-2-3-5-9(8)6-7-10;/h2-5H,1,6-7,10H2;/q-1;
InChIKeyDIBWJSFLYUHOBU-UHFFFAOYSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(2-methanidylphenyl)ethanamine;palladium?
The IUPAC name of 2-(2-methanidylphenyl)ethanamine;palladium (CID 175142647) is 2-(2-methanidylphenyl)ethanamine;palladium.
What is the SMILES notation for 2-(2-methanidylphenyl)ethanamine;palladium?
The canonical SMILES for 2-(2-methanidylphenyl)ethanamine;palladium is [CH2-]c1ccccc1CCN.[Pd].
What is the InChIKey of 2-(2-methanidylphenyl)ethanamine;palladium?
The InChIKey is DIBWJSFLYUHOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Pd/c1-8-4-2-3-5-9(8)6-7-10;/h2-5H,1,6-7,10H2;/q-1;.
What are the key properties of 2-(2-methanidylphenyl)ethanamine;palladium?
2-(2-methanidylphenyl)ethanamine;palladium has a molecular weight of 240.62 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methanidylphenyl)ethanamine;palladium is sourced from PubChem (CID 175142647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).