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

C11H16ClNO2Pd — CID 155678161

IUPACchloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine
SMILESCOc1c[c-]c(CN(C)C)c(OC)c1.Cl[Pd+]
InChIInChI=1S/C11H16NO2.ClH.Pd/c1-12(2)8-9-5-6-10(13-3)7-11(9)14-4;;/h6-7H,8H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyAGXFSBHCAVAZNO-UHFFFAOYSA-M
MW336.13 g/mol
LogP2.25
Rot. Bonds4

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

chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine (PubChem CID 155678161) has the molecular formula C11H16ClNO2Pd and a molecular weight of 336.13 g/mol. Its IUPAC name is chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Namechloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine
PubChem CID155678161
Molecular FormulaC11H16ClNO2Pd
Molecular Weight336.13 g/mol
Exact Mass334.99
IUPAC Namechloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine
SMILESCOc1c[c-]c(CN(C)C)c(OC)c1.Cl[Pd+]
InChIInChI=1S/C11H16NO2.ClH.Pd/c1-12(2)8-9-5-6-10(13-3)7-11(9)14-4;;/h6-7H,8H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyAGXFSBHCAVAZNO-UHFFFAOYSA-M
XLogP2.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 52.25
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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Related Compounds

lithium 1-(3-methoxybenzene-2-id-1-yl)-N,N-dimethylmethanamine
CID 176428131
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
(3E,5Z)-N-[(E)-but-2-enyl]-5,6-dimethoxy-N-methylhepta-3,5-dien-1-amine
CID 122649699
3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine
CID 123395458
3,4-dimethoxy-N-methyl-2-methylidene-N-propylhex-3-en-1-amine
CID 124029618
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
3,7,7-Trimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine
CID 138480657
(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
CID 139539796
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
CID 143508035
acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 143940181
5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 143940182
5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine
CID 151372281

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine (CID 155678161) is chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine is COc1c[c-]c(CN(C)C)c(OC)c1.Cl[Pd+].
What is the InChIKey of chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine?
The InChIKey is AGXFSBHCAVAZNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16NO2.ClH.Pd/c1-12(2)8-9-5-6-10(13-3)7-11(9)14-4;;/h6-7H,8H2,1-4H3;1H;/q-1;;+2/p-1.
What are the key properties of chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine?
chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine has a molecular weight of 336.13 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 155678161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).