4-[(4-aminophenyl)-diethylsilyl]oxyaniline

C16H22N2OSi — CID 141162303

IUPAC4-[(4-aminophenyl)-diethylsilyl]oxyaniline
SMILESCC[Si](CC)(Oc1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H22N2OSi/c1-3-20(4-2,16-11-7-14(18)8-12-16)19-15-9-5-13(17)6-10-15/h5-12H,3-4,17-18H2,1-2H3
InChIKeyYSKOJWFQUVDSPH-UHFFFAOYSA-N
MW286.45 g/mol
LogP3.12
Rot. Bonds5

About 4-[(4-aminophenyl)-diethylsilyl]oxyaniline

4-[(4-aminophenyl)-diethylsilyl]oxyaniline (PubChem CID 141162303) has the molecular formula C16H22N2OSi and a molecular weight of 286.45 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-diethylsilyl]oxyaniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)-diethylsilyl]oxyaniline
PubChem CID141162303
Molecular FormulaC16H22N2OSi
Molecular Weight286.45 g/mol
Exact Mass286.15
IUPAC Name4-[(4-aminophenyl)-diethylsilyl]oxyaniline
SMILESCC[Si](CC)(Oc1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H22N2OSi/c1-3-20(4-2,16-11-7-14(18)8-12-16)19-15-9-5-13(17)6-10-15/h5-12H,3-4,17-18H2,1-2H3
InChIKeyYSKOJWFQUVDSPH-UHFFFAOYSA-N
XLogP3.12
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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 4-[(4-aminophenyl)-diethylsilyl]oxyaniline?
The IUPAC name of 4-[(4-aminophenyl)-diethylsilyl]oxyaniline (CID 141162303) is 4-[(4-aminophenyl)-diethylsilyl]oxyaniline.
What is the SMILES notation for 4-[(4-aminophenyl)-diethylsilyl]oxyaniline?
The canonical SMILES for 4-[(4-aminophenyl)-diethylsilyl]oxyaniline is CC[Si](CC)(Oc1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[(4-aminophenyl)-diethylsilyl]oxyaniline?
The InChIKey is YSKOJWFQUVDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OSi/c1-3-20(4-2,16-11-7-14(18)8-12-16)19-15-9-5-13(17)6-10-15/h5-12H,3-4,17-18H2,1-2H3.
What are the key properties of 4-[(4-aminophenyl)-diethylsilyl]oxyaniline?
4-[(4-aminophenyl)-diethylsilyl]oxyaniline has a molecular weight of 286.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-diethylsilyl]oxyaniline is sourced from PubChem (CID 141162303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).