4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline

C13H22INOSi — CID 125465241

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(N)cc1I
InChIInChI=1S/C13H22INOSi/c1-13(2,3)17(4,5)16-9-10-6-7-11(15)8-12(10)14/h6-8H,9,15H2,1-5H3
InChIKeyYHBSMOLLGXDWNP-UHFFFAOYSA-N
MW363.32 g/mol
LogP4.40
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline (PubChem CID 125465241) has the molecular formula C13H22INOSi and a molecular weight of 363.32 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline
PubChem CID125465241
Molecular FormulaC13H22INOSi
Molecular Weight363.32 g/mol
Exact Mass363.05
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(N)cc1I
InChIInChI=1S/C13H22INOSi/c1-13(2,3)17(4,5)16-9-10-6-7-11(15)8-12(10)14/h6-8H,9,15H2,1-5H3
InChIKeyYHBSMOLLGXDWNP-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 54.40
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline (CID 125465241) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline is CC(C)(C)[Si](C)(C)OCc1ccc(N)cc1I.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline?
The InChIKey is YHBSMOLLGXDWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22INOSi/c1-13(2,3)17(4,5)16-9-10-6-7-11(15)8-12(10)14/h6-8H,9,15H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline has a molecular weight of 363.32 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline is sourced from PubChem (CID 125465241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).