dichloroiron;2,6-dimethylaniline

C8H11Cl2FeN — CID 175869472

IUPACdichloroiron;2,6-dimethylaniline
SMILESCc1cccc(C)c1N.Cl[Fe]Cl
InChIInChI=1S/C8H11N.2ClH.Fe/c1-6-4-3-5-7(2)8(6)9;;;/h3-5H,9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyXGXWIDHLKJNYKU-UHFFFAOYSA-L
MW247.93 g/mol
LogP3.26
Rot. Bonds

About dichloroiron;2,6-dimethylaniline

dichloroiron;2,6-dimethylaniline (PubChem CID 175869472) has the molecular formula C8H11Cl2FeN and a molecular weight of 247.93 g/mol. Its IUPAC name is dichloroiron;2,6-dimethylaniline.

Molecular Properties

Compound Namedichloroiron;2,6-dimethylaniline
PubChem CID175869472
Molecular FormulaC8H11Cl2FeN
Molecular Weight247.93 g/mol
Exact Mass246.96
IUPAC Namedichloroiron;2,6-dimethylaniline
SMILESCc1cccc(C)c1N.Cl[Fe]Cl
InChIInChI=1S/C8H11N.2ClH.Fe/c1-6-4-3-5-7(2)8(6)9;;;/h3-5H,9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyXGXWIDHLKJNYKU-UHFFFAOYSA-L
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.93
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylaniline;2-methylaniline
CID 160714609
3-methylbenzene-1,2-diamine
CID 162019775
methanol;3-methylbenzene-1,2-diamine
CID 174839717
CID 149106490
CID 149106490
2,6-bis(trideuteriomethyl)aniline
CID 45039069
4-(2,6-dimethylphenyl)-2,6-dimethylaniline
CID 155131505
2-methyl-6-propan-2-ylaniline
CID 162117439
2,6-bis(trideuteriomethyl)aniline;hydrochloride
CID 163322682
2-(2,5-dimethylphenyl)-6-methylaniline
CID 23622687
1-N-(difluoromethyl)-3-methylbenzene-1,2-diamine
CID 123982408
2-bromo-6-chloroaniline;2-chloro-6-methylaniline
CID 164960891
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119

Frequently Asked Questions

What is the IUPAC name of dichloroiron;2,6-dimethylaniline?
The IUPAC name of dichloroiron;2,6-dimethylaniline (CID 175869472) is dichloroiron;2,6-dimethylaniline.
What is the SMILES notation for dichloroiron;2,6-dimethylaniline?
The canonical SMILES for dichloroiron;2,6-dimethylaniline is Cc1cccc(C)c1N.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;2,6-dimethylaniline?
The InChIKey is XGXWIDHLKJNYKU-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11N.2ClH.Fe/c1-6-4-3-5-7(2)8(6)9;;;/h3-5H,9H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroiron;2,6-dimethylaniline?
dichloroiron;2,6-dimethylaniline has a molecular weight of 247.93 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;2,6-dimethylaniline is sourced from PubChem (CID 175869472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).