4-[(4-aminophenyl)-dihydroxysilyl]aniline

C12H14N2O2Si — CID 69073589

IUPAC4-[(4-aminophenyl)-dihydroxysilyl]aniline
SMILESNc1ccc([Si](O)(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H14N2O2Si/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,15-16H,13-14H2
InChIKeyMTXGPTKBEONBFS-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.61
Rot. Bonds2

About 4-[(4-aminophenyl)-dihydroxysilyl]aniline

4-[(4-aminophenyl)-dihydroxysilyl]aniline (PubChem CID 69073589) has the molecular formula C12H14N2O2Si and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-dihydroxysilyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)-dihydroxysilyl]aniline
PubChem CID69073589
Molecular FormulaC12H14N2O2Si
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-[(4-aminophenyl)-dihydroxysilyl]aniline
SMILESNc1ccc([Si](O)(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C12H14N2O2Si/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,15-16H,13-14H2
InChIKeyMTXGPTKBEONBFS-UHFFFAOYSA-N
XLogP-0.61
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 4-[(4-aminophenyl)-dihydroxysilyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)-dihydroxysilyl]aniline (CID 69073589) is 4-[(4-aminophenyl)-dihydroxysilyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)-dihydroxysilyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)-dihydroxysilyl]aniline is Nc1ccc([Si](O)(O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)-dihydroxysilyl]aniline?
The InChIKey is MTXGPTKBEONBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2Si/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,15-16H,13-14H2.
What are the key properties of 4-[(4-aminophenyl)-dihydroxysilyl]aniline?
4-[(4-aminophenyl)-dihydroxysilyl]aniline has a molecular weight of 246.34 g/mol, XLogP of -0.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-dihydroxysilyl]aniline is sourced from PubChem (CID 69073589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).