3-(1-diethylsilyloxyethyl)aniline

C12H21NOSi — CID 135056832

IUPAC3-(1-diethylsilyloxyethyl)aniline
SMILESCC[SiH](CC)OC(C)c1cccc(N)c1
InChIInChI=1S/C12H21NOSi/c1-4-15(5-2)14-10(3)11-7-6-8-12(13)9-11/h6-10,15H,4-5,13H2,1-3H3
InChIKeyQMOYVAGBCBRAOT-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.11
Rot. Bonds5

About 3-(1-diethylsilyloxyethyl)aniline

3-(1-diethylsilyloxyethyl)aniline (PubChem CID 135056832) has the molecular formula C12H21NOSi and a molecular weight of 223.39 g/mol. Its IUPAC name is 3-(1-diethylsilyloxyethyl)aniline.

Molecular Properties

Compound Name3-(1-diethylsilyloxyethyl)aniline
PubChem CID135056832
Molecular FormulaC12H21NOSi
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name3-(1-diethylsilyloxyethyl)aniline
SMILESCC[SiH](CC)OC(C)c1cccc(N)c1
InChIInChI=1S/C12H21NOSi/c1-4-15(5-2)14-10(3)11-7-6-8-12(13)9-11/h6-10,15H,4-5,13H2,1-3H3
InChIKeyQMOYVAGBCBRAOT-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-diethylsilyloxyethyl)aniline?
The IUPAC name of 3-(1-diethylsilyloxyethyl)aniline (CID 135056832) is 3-(1-diethylsilyloxyethyl)aniline.
What is the SMILES notation for 3-(1-diethylsilyloxyethyl)aniline?
The canonical SMILES for 3-(1-diethylsilyloxyethyl)aniline is CC[SiH](CC)OC(C)c1cccc(N)c1.
What is the InChIKey of 3-(1-diethylsilyloxyethyl)aniline?
The InChIKey is QMOYVAGBCBRAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOSi/c1-4-15(5-2)14-10(3)11-7-6-8-12(13)9-11/h6-10,15H,4-5,13H2,1-3H3.
What are the key properties of 3-(1-diethylsilyloxyethyl)aniline?
3-(1-diethylsilyloxyethyl)aniline has a molecular weight of 223.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-diethylsilyloxyethyl)aniline is sourced from PubChem (CID 135056832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).