CID 66809567

C11H16NO2Si — CID 66809567

IUPAC—
SMILESCCOC([Si])(OCC)c1ccccc1N
InChIInChI=1S/C11H16NO2Si/c1-3-13-11(15,14-4-2)9-7-5-6-8-10(9)12/h5-8H,3-4,12H2,1-2H3
InChIKeyKFFLQNZJGBMJRT-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.62
Rot. Bonds5

About CID 66809567

CID 66809567 (PubChem CID 66809567) has the molecular formula C11H16NO2Si and a molecular weight of 222.34 g/mol.

Molecular Properties

Compound NameCID 66809567
PubChem CID66809567
Molecular FormulaC11H16NO2Si
Molecular Weight222.34 g/mol
Exact Mass222.10
IUPAC Name—
SMILESCCOC([Si])(OCC)c1ccccc1N
InChIInChI=1S/C11H16NO2Si/c1-3-13-11(15,14-4-2)9-7-5-6-8-10(9)12/h5-8H,3-4,12H2,1-2H3
InChIKeyKFFLQNZJGBMJRT-UHFFFAOYSA-N
XLogP1.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 67789986
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CID 18997970
2-N-(2-ethoxy-2-methylpropyl)-3-methylbenzene-1,2-diamine
CID 114940564
2-(2-ethoxyethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of CID 66809567?
The IUPAC name of CID 66809567 (CID 66809567) is not available.
What is the SMILES notation for CID 66809567?
The canonical SMILES for CID 66809567 is CCOC([Si])(OCC)c1ccccc1N.
What is the InChIKey of CID 66809567?
The InChIKey is KFFLQNZJGBMJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2Si/c1-3-13-11(15,14-4-2)9-7-5-6-8-10(9)12/h5-8H,3-4,12H2,1-2H3.
What are the key properties of CID 66809567?
CID 66809567 has a molecular weight of 222.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66809567 is sourced from PubChem (CID 66809567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).