bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+)

C24H32Cl2FeN3O2 — CID 18719202

IUPACbis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+)
SMILESCOC(/C=N/c1c(C)cc(C)cc1C)[N-]C(/C=N/c1c(C)cc(C)cc1C)OC.Cl[Fe+]Cl
InChIInChI=1S/C24H32N3O2.2ClH.Fe/c1-15-9-17(3)23(18(4)10-15)25-13-21(28-7)27-22(29-8)14-26-24-19(5)11-16(2)12-20(24)6;;;/h9-14,21-22H,1-8H3;2*1H;/q-1;;;+3/p-2/b25-13+,26-14+;;;
InChIKeyMPEATEIGQUBFMS-CWPMVNKHSA-L
MW521.29 g/mol
LogP7.34
Rot. Bonds8

About bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+)

bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+) (PubChem CID 18719202) has the molecular formula C24H32Cl2FeN3O2 and a molecular weight of 521.29 g/mol. Its IUPAC name is bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+).

Molecular Properties

Compound Namebis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+)
PubChem CID18719202
Molecular FormulaC24H32Cl2FeN3O2
Molecular Weight521.29 g/mol
Exact Mass520.12
IUPAC Namebis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+)
SMILESCOC(/C=N/c1c(C)cc(C)cc1C)[N-]C(/C=N/c1c(C)cc(C)cc1C)OC.Cl[Fe+]Cl
InChIInChI=1S/C24H32N3O2.2ClH.Fe/c1-15-9-17(3)23(18(4)10-15)25-13-21(28-7)27-22(29-8)14-26-24-19(5)11-16(2)12-20(24)6;;;/h9-14,21-22H,1-8H3;2*1H;/q-1;;;+3/p-2/b25-13+,26-14+;;;
InChIKeyMPEATEIGQUBFMS-CWPMVNKHSA-L
XLogP7.34
TPSA57.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.29
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[3,5-Diethyl-4-(2-oxoethylideneamino)phenyl]methyl]-2,6-diethylphenyl]iminoacetaldehyde
CID 18714340
dichloroiron;N'-(2,4,6-trimethylphenyl)-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethane-1,2-diimine
CID 18718479
dichloroiron;2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine
CID 18718481
dichloroiron;N'-(2,6-dimethylphenyl)-N-[2-(2,6-dimethylphenyl)iminoethyl]ethane-1,2-diimine
CID 18718483
dichloroiron;methyl (1E)-2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxyethyl]ethanimidate
CID 18718491
dichloroiron;methyl (1E)-2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate
CID 18718493
dichloroiron;N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminopropyl]propan-1-amine
CID 18718501
dichloroiron;2-N-(2,4,6-trimethylphenyl)-1-N-[2-(2,4,6-trimethylphenyl)iminopropyl]propane-1,2-diimine
CID 18718503
dichloroiron;methyl (1E)-N-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]-2-(2,4,6-trimethylphenyl)iminoethanimidate
CID 18718513
dichloroiron;1-methoxy-N-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]-2-(2,4,6-trimethylphenyl)iminoethanamine
CID 18718515
dichloroiron;1-methoxy-N-[1-methoxy-2-(2,4,6-trimethylphenyl)iminopropyl]-N-methyl-2-(2,4,6-trimethylphenyl)iminopropan-1-amine
CID 18718517
dichloroiron;methyl (1E)-N-[1-methoxy-2-(2,4,6-trimethylphenyl)iminopropyl]-2-(2,4,6-trimethylphenyl)iminopropanimidate
CID 18718519

Frequently Asked Questions

What is the IUPAC name of bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+)?
The IUPAC name of bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+) (CID 18719202) is bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+).
What is the SMILES notation for bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+)?
The canonical SMILES for bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+) is COC(/C=N/c1c(C)cc(C)cc1C)[N-]C(/C=N/c1c(C)cc(C)cc1C)OC.Cl[Fe+]Cl.
What is the InChIKey of bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+)?
The InChIKey is MPEATEIGQUBFMS-CWPMVNKHSA-L. The full InChI is InChI=1S/C24H32N3O2.2ClH.Fe/c1-15-9-17(3)23(18(4)10-15)25-13-21(28-7)27-22(29-8)14-26-24-19(5)11-16(2)12-20(24)6;;;/h9-14,21-22H,1-8H3;2*1H;/q-1;;;+3/p-2/b25-13+,26-14+;;;.
What are the key properties of bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+)?
bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+) has a molecular weight of 521.29 g/mol, XLogP of 7.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethyl]azanide;dichloroiron(1+) is sourced from PubChem (CID 18719202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).