dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine

C19H28Cl2FeN5P — CID 18719500

IUPACdichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine
SMILESCc1cc(C)c(/N=C/C2=CCC(/C=N/P(N(C)C)N(C)C)=N2)c(C)c1.Cl[Fe]Cl
InChIInChI=1S/C19H28N5P.2ClH.Fe/c1-14-10-15(2)19(16(3)11-14)20-12-17-8-9-18(22-17)13-21-25(23(4)5)24(6)7;;;/h8,10-13H,9H2,1-7H3;2*1H;/q;;;+2/p-2/b20-12+,21-13+;;;
InChIKeyZNKXCCLVJSKCBN-LSLBEZLLSA-L
MW484.19 g/mol
LogP5.84
Rot. Bonds6

About dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine

dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine (PubChem CID 18719500) has the molecular formula C19H28Cl2FeN5P and a molecular weight of 484.19 g/mol. Its IUPAC name is dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound Namedichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine
PubChem CID18719500
Molecular FormulaC19H28Cl2FeN5P
Molecular Weight484.19 g/mol
Exact Mass483.08
IUPAC Namedichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine
SMILESCc1cc(C)c(/N=C/C2=CCC(/C=N/P(N(C)C)N(C)C)=N2)c(C)c1.Cl[Fe]Cl
InChIInChI=1S/C19H28N5P.2ClH.Fe/c1-14-10-15(2)19(16(3)11-14)20-12-17-8-9-18(22-17)13-21-25(23(4)5)24(6)7;;;/h8,10-13H,9H2,1-7H3;2*1H;/q;;;+2/p-2/b20-12+,21-13+;;;
InChIKeyZNKXCCLVJSKCBN-LSLBEZLLSA-L
XLogP5.84
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.19
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dibromoiron;N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methanimine
CID 18718678
phenyl (NE)-N-[[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylidene]sulfamate
CID 18719137
N-(2,6-difluorophenyl)-1-[5-[(2,6-difluorophenyl)iminomethyl]-3H-pyrrol-2-yl]methanimine
CID 18718956
N-[dimethylamino-[(E)-1-[5-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-3H-pyrrol-2-yl]ethylideneamino]phosphanyl]-N-methylmethanamine
CID 18719498
dichloroiron;N-[dimethylamino-[(E)-1-[5-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]thiophen-2-yl]ethylideneamino]phosphanyl]-N-methylmethanamine
CID 20702143
1-[4-chloro-6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)methanimine;iron(3+);trichloride
CID 70012820
dichloroiron;N-[dimethylamino-[(E)-1-[5-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]furan-2-yl]ethylideneamino]phosphanyl]-N-methylmethanamine
CID 20702141
dichloroiron;(E)-N-pyridin-2-yl-1-[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methanimine
CID 20702025
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
CID 1378244
N-(2,4,6-trimethylphenyl)-3-trimethylsilylprop-2-yn-1-imine
CID 13101778
dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine
CID 22968361
N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine
CID 18718526

Frequently Asked Questions

What is the IUPAC name of dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine?
The IUPAC name of dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine (CID 18719500) is dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine.
What is the SMILES notation for dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine?
The canonical SMILES for dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine is Cc1cc(C)c(/N=C/C2=CCC(/C=N/P(N(C)C)N(C)C)=N2)c(C)c1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine?
The InChIKey is ZNKXCCLVJSKCBN-LSLBEZLLSA-L. The full InChI is InChI=1S/C19H28N5P.2ClH.Fe/c1-14-10-15(2)19(16(3)11-14)20-12-17-8-9-18(22-17)13-21-25(23(4)5)24(6)7;;;/h8,10-13H,9H2,1-7H3;2*1H;/q;;;+2/p-2/b20-12+,21-13+;;;.
What are the key properties of dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine?
dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine has a molecular weight of 484.19 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;N-[dimethylamino-[(E)-[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylideneamino]phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 18719500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).