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

C16H23NOSSi — CID 59736823

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cccs2)cc1N
InChIInChI=1S/C16H23NOSSi/c1-16(2,3)20(4,5)18-14-9-8-12(11-13(14)17)15-7-6-10-19-15/h6-11H,17H2,1-5H3
InChIKeyQFBJNPRVQDSVPX-UHFFFAOYSA-N
MW305.52 g/mol
LogP5.38
Rot. Bonds3

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

2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline (PubChem CID 59736823) has the molecular formula C16H23NOSSi and a molecular weight of 305.52 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline
PubChem CID59736823
Molecular FormulaC16H23NOSSi
Molecular Weight305.52 g/mol
Exact Mass305.13
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cccs2)cc1N
InChIInChI=1S/C16H23NOSSi/c1-16(2,3)20(4,5)18-14-9-8-12(11-13(14)17)15-7-6-10-19-15/h6-11H,17H2,1-5H3
InChIKeyQFBJNPRVQDSVPX-UHFFFAOYSA-N
XLogP5.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.52
LogP ≤ 55.38
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 2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline (CID 59736823) is 2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline is CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccs2)cc1N.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline?
The InChIKey is QFBJNPRVQDSVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOSSi/c1-16(2,3)20(4,5)18-14-9-8-12(11-13(14)17)15-7-6-10-19-15/h6-11H,17H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline?
2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline has a molecular weight of 305.52 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline is sourced from PubChem (CID 59736823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).