chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine

C20H24ClNO3Pd — CID 11385813

IUPACchloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine
SMILESCl[Pd+].[CH2-]C(C)(C)c1ccc(OC)cc1/N=C/c1c(OC)cccc1OC
InChIInChI=1S/C20H24NO3.ClH.Pd/c1-20(2,3)16-11-10-14(22-4)12-17(16)21-13-15-18(23-5)8-7-9-19(15)24-6;;/h7-13H,1H2,2-6H3;1H;/q-1;;+2/p-1/b21-13+;;
InChIKeyALJSRQPARSNIGQ-ORKRDPRMSA-M
MW468.29 g/mol
LogP5.26
Rot. Bonds6

About chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine

chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine (PubChem CID 11385813) has the molecular formula C20H24ClNO3Pd and a molecular weight of 468.29 g/mol. Its IUPAC name is chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine.

Molecular Properties

Compound Namechloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine
PubChem CID11385813
Molecular FormulaC20H24ClNO3Pd
Molecular Weight468.29 g/mol
Exact Mass467.05
IUPAC Namechloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine
SMILESCl[Pd+].[CH2-]C(C)(C)c1ccc(OC)cc1/N=C/c1c(OC)cccc1OC
InChIInChI=1S/C20H24NO3.ClH.Pd/c1-20(2,3)16-11-10-14(22-4)12-17(16)21-13-15-18(23-5)8-7-9-19(15)24-6;;/h7-13H,1H2,2-6H3;1H;/q-1;;+2/p-1/b21-13+;;
InChIKeyALJSRQPARSNIGQ-ORKRDPRMSA-M
XLogP5.26
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.29
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine
CID 11441228
1-(2,6-dimethoxyphenyl)-N-[2-(2-methyl-1-phenylpropan-2-yl)phenyl]methanimine
CID 101216263
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
CID 135863199
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 137098219
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
4-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxy-2-(2-methoxyphenyl)isoquinolin-1-one
CID 3431171
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3248071
4,6-ditert-butyl-3-[(2-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 138115656
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine?
The IUPAC name of chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine (CID 11385813) is chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine.
What is the SMILES notation for chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine?
The canonical SMILES for chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine is Cl[Pd+].[CH2-]C(C)(C)c1ccc(OC)cc1/N=C/c1c(OC)cccc1OC.
What is the InChIKey of chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine?
The InChIKey is ALJSRQPARSNIGQ-ORKRDPRMSA-M. The full InChI is InChI=1S/C20H24NO3.ClH.Pd/c1-20(2,3)16-11-10-14(22-4)12-17(16)21-13-15-18(23-5)8-7-9-19(15)24-6;;/h7-13H,1H2,2-6H3;1H;/q-1;;+2/p-1/b21-13+;;.
What are the key properties of chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine?
chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine has a molecular weight of 468.29 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine is sourced from PubChem (CID 11385813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).