4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline

C13H23NOSi — CID 13417352

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline
SMILESCNc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C13H23NOSi/c1-13(2,3)16(5,6)15-12-9-7-11(14-4)8-10-12/h7-10,14H,1-6H3
InChIKeyLOAOVMMNAPDXOT-UHFFFAOYSA-N
MW237.42 g/mol
LogP4.11
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline

4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline (PubChem CID 13417352) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline
PubChem CID13417352
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline
SMILESCNc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C13H23NOSi/c1-13(2,3)16(5,6)15-12-9-7-11(14-4)8-10-12/h7-10,14H,1-6H3
InChIKeyLOAOVMMNAPDXOT-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-N-methylaniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline (CID 13417352) is 4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline is CNc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline?
The InChIKey is LOAOVMMNAPDXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-13(2,3)16(5,6)15-12-9-7-11(14-4)8-10-12/h7-10,14H,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline?
4-[tert-butyl(dimethyl)silyl]oxy-N-methylaniline has a molecular weight of 237.42 g/mol, XLogP of 4.11, 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]oxy-N-methylaniline is sourced from PubChem (CID 13417352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).