2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline

C13H23NOSi — CID 54422902

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline
SMILESCc1ccc(O[Si](C)(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C13H23NOSi/c1-10-7-8-12(11(14)9-10)15-16(5,6)13(2,3)4/h7-9H,14H2,1-6H3
InChIKeyWCATVLPEPQRASK-UHFFFAOYSA-N
MW237.42 g/mol
LogP3.96
Rot. Bonds2

About 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline

2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline (PubChem CID 54422902) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline
PubChem CID54422902
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline
SMILESCc1ccc(O[Si](C)(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C13H23NOSi/c1-10-7-8-12(11(14)9-10)15-16(5,6)13(2,3)4/h7-9H,14H2,1-6H3
InChIKeyWCATVLPEPQRASK-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 53.96
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 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline (CID 54422902) is 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline is Cc1ccc(O[Si](C)(C)C(C)(C)C)c(N)c1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline?
The InChIKey is WCATVLPEPQRASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-10-7-8-12(11(14)9-10)15-16(5,6)13(2,3)4/h7-9H,14H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline?
2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline has a molecular weight of 237.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-5-methylaniline is sourced from PubChem (CID 54422902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).