3-(diethoxysilylmethyl)aniline

C11H19NO2Si — CID 137327321

IUPAC3-(diethoxysilylmethyl)aniline
SMILESCCO[SiH](Cc1cccc(N)c1)OCC
InChIInChI=1S/C11H19NO2Si/c1-3-13-15(14-4-2)9-10-6-5-7-11(12)8-10/h5-8,15H,3-4,9,12H2,1-2H3
InChIKeyRWQDJQYCVZRHFV-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.64
Rot. Bonds6

About 3-(diethoxysilylmethyl)aniline

3-(diethoxysilylmethyl)aniline (PubChem CID 137327321) has the molecular formula C11H19NO2Si and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-(diethoxysilylmethyl)aniline.

Molecular Properties

Compound Name3-(diethoxysilylmethyl)aniline
PubChem CID137327321
Molecular FormulaC11H19NO2Si
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-(diethoxysilylmethyl)aniline
SMILESCCO[SiH](Cc1cccc(N)c1)OCC
InChIInChI=1S/C11H19NO2Si/c1-3-13-15(14-4-2)9-10-6-5-7-11(12)8-10/h5-8,15H,3-4,9,12H2,1-2H3
InChIKeyRWQDJQYCVZRHFV-UHFFFAOYSA-N
XLogP1.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethoxysilylmethyl)aniline?
The IUPAC name of 3-(diethoxysilylmethyl)aniline (CID 137327321) is 3-(diethoxysilylmethyl)aniline.
What is the SMILES notation for 3-(diethoxysilylmethyl)aniline?
The canonical SMILES for 3-(diethoxysilylmethyl)aniline is CCO[SiH](Cc1cccc(N)c1)OCC.
What is the InChIKey of 3-(diethoxysilylmethyl)aniline?
The InChIKey is RWQDJQYCVZRHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2Si/c1-3-13-15(14-4-2)9-10-6-5-7-11(12)8-10/h5-8,15H,3-4,9,12H2,1-2H3.
What are the key properties of 3-(diethoxysilylmethyl)aniline?
3-(diethoxysilylmethyl)aniline has a molecular weight of 225.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxysilylmethyl)aniline is sourced from PubChem (CID 137327321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).