4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline

C13H23NO2Si — CID 167726664

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
SMILESCOc1cc(O[Si](C)(C)C(C)(C)C)ccc1N
InChIInChI=1S/C13H23NO2Si/c1-13(2,3)17(5,6)16-10-7-8-11(14)12(9-10)15-4/h7-9H,14H2,1-6H3
InChIKeyDVOZSQWLIGKHMO-UHFFFAOYSA-N
MW253.42 g/mol
LogP3.66
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline

4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline (PubChem CID 167726664) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
PubChem CID167726664
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
SMILESCOc1cc(O[Si](C)(C)C(C)(C)C)ccc1N
InChIInChI=1S/C13H23NO2Si/c1-13(2,3)17(5,6)16-10-7-8-11(14)12(9-10)15-4/h7-9H,14H2,1-6H3
InChIKeyDVOZSQWLIGKHMO-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 53.66
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 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline (CID 167726664) is 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline is COc1cc(O[Si](C)(C)C(C)(C)C)ccc1N.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline?
The InChIKey is DVOZSQWLIGKHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-13(2,3)17(5,6)16-10-7-8-11(14)12(9-10)15-4/h7-9H,14H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline?
4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline has a molecular weight of 253.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline is sourced from PubChem (CID 167726664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).