2,6-diethylaniline;iron(2+)

C10H15FeN+2 — CID 175873065

IUPAC2,6-diethylaniline;iron(2+)
SMILESCCc1cccc(CC)c1N.[Fe+2]
InChIInChI=1S/C10H15N.Fe/c1-3-8-6-5-7-9(4-2)10(8)11;/h5-7H,3-4,11H2,1-2H3;/q;+2
InChIKeyZKHHKRGXFXNCIA-UHFFFAOYSA-N
MW205.08 g/mol
LogP2.39
Rot. Bonds2

About 2,6-diethylaniline;iron(2+)

2,6-diethylaniline;iron(2+) (PubChem CID 175873065) has the molecular formula C10H15FeN+2 and a molecular weight of 205.08 g/mol. Its IUPAC name is 2,6-diethylaniline;iron(2+).

Molecular Properties

Compound Name2,6-diethylaniline;iron(2+)
PubChem CID175873065
Molecular FormulaC10H15FeN+2
Molecular Weight205.08 g/mol
Exact Mass205.05
IUPAC Name2,6-diethylaniline;iron(2+)
SMILESCCc1cccc(CC)c1N.[Fe+2]
InChIInChI=1S/C10H15N.Fe/c1-3-8-6-5-7-9(4-2)10(8)11;/h5-7H,3-4,11H2,1-2H3;/q;+2
InChIKeyZKHHKRGXFXNCIA-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 52.39
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

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methyl 3-(2-amino-3-ethylphenyl)propanoate
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ethane;2-ethylaniline
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2-ethylaniline;propane
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3-ethyl-2-methylaniline
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2-ethyl-6-(piperazin-1-ylmethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 2,6-diethylaniline;iron(2+)?
The IUPAC name of 2,6-diethylaniline;iron(2+) (CID 175873065) is 2,6-diethylaniline;iron(2+).
What is the SMILES notation for 2,6-diethylaniline;iron(2+)?
The canonical SMILES for 2,6-diethylaniline;iron(2+) is CCc1cccc(CC)c1N.[Fe+2].
What is the InChIKey of 2,6-diethylaniline;iron(2+)?
The InChIKey is ZKHHKRGXFXNCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.Fe/c1-3-8-6-5-7-9(4-2)10(8)11;/h5-7H,3-4,11H2,1-2H3;/q;+2.
What are the key properties of 2,6-diethylaniline;iron(2+)?
2,6-diethylaniline;iron(2+) has a molecular weight of 205.08 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylaniline;iron(2+) is sourced from PubChem (CID 175873065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).