1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium

C11H16NO2Pd- — CID 175116359

IUPAC1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium
SMILESCOc1c[c-]c(CN(C)C)c(OC)c1.[Pd]
InChIInChI=1S/C11H16NO2.Pd/c1-12(2)8-9-5-6-10(13-3)7-11(9)14-4;/h6-7H,8H2,1-4H3;/q-1;
InChIKeyZOENCQZSKZFKNK-UHFFFAOYSA-N
MW300.67 g/mol
LogP1.56
Rot. Bonds4

About 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium

1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium (PubChem CID 175116359) has the molecular formula C11H16NO2Pd- and a molecular weight of 300.67 g/mol. Its IUPAC name is 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium.

Molecular Properties

Compound Name1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium
PubChem CID175116359
Molecular FormulaC11H16NO2Pd-
Molecular Weight300.67 g/mol
Exact Mass300.02
IUPAC Name1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium
SMILESCOc1c[c-]c(CN(C)C)c(OC)c1.[Pd]
InChIInChI=1S/C11H16NO2.Pd/c1-12(2)8-9-5-6-10(13-3)7-11(9)14-4;/h6-7H,8H2,1-4H3;/q-1;
InChIKeyZOENCQZSKZFKNK-UHFFFAOYSA-N
XLogP1.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium?
The IUPAC name of 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium (CID 175116359) is 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium.
What is the SMILES notation for 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium?
The canonical SMILES for 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium is COc1c[c-]c(CN(C)C)c(OC)c1.[Pd].
What is the InChIKey of 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium?
The InChIKey is ZOENCQZSKZFKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2.Pd/c1-12(2)8-9-5-6-10(13-3)7-11(9)14-4;/h6-7H,8H2,1-4H3;/q-1;.
What are the key properties of 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium?
1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium has a molecular weight of 300.67 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium is sourced from PubChem (CID 175116359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).