3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron

C13H22FeNO2Si- — CID 175719967

IUPAC3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron
SMILESCC[CH-][Si](C)(C)OCCOc1cccc(N)c1.[Fe]
InChIInChI=1S/C13H22NO2Si.Fe/c1-4-10-17(2,3)16-9-8-15-13-7-5-6-12(14)11-13;/h5-7,10-11H,4,8-9,14H2,1-3H3;/q-1;
InChIKeyFQFBIPRKMBGIFO-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.02
Rot. Bonds7

About 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron

3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron (PubChem CID 175719967) has the molecular formula C13H22FeNO2Si- and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron.

Molecular Properties

Compound Name3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron
PubChem CID175719967
Molecular FormulaC13H22FeNO2Si-
Molecular Weight308.25 g/mol
Exact Mass308.08
IUPAC Name3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron
SMILESCC[CH-][Si](C)(C)OCCOc1cccc(N)c1.[Fe]
InChIInChI=1S/C13H22NO2Si.Fe/c1-4-10-17(2,3)16-9-8-15-13-7-5-6-12(14)11-13;/h5-7,10-11H,4,8-9,14H2,1-3H3;/q-1;
InChIKeyFQFBIPRKMBGIFO-UHFFFAOYSA-N
XLogP3.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron?
The IUPAC name of 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron (CID 175719967) is 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron.
What is the SMILES notation for 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron?
The canonical SMILES for 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron is CC[CH-][Si](C)(C)OCCOc1cccc(N)c1.[Fe].
What is the InChIKey of 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron?
The InChIKey is FQFBIPRKMBGIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO2Si.Fe/c1-4-10-17(2,3)16-9-8-15-13-7-5-6-12(14)11-13;/h5-7,10-11H,4,8-9,14H2,1-3H3;/q-1;.
What are the key properties of 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron?
3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron has a molecular weight of 308.25 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[dimethyl(propyl)silyl]oxyethoxy]aniline;iron is sourced from PubChem (CID 175719967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).