4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline

C13H23NOSi — CID 11075470

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(N)cc1
InChIInChI=1S/C13H23NOSi/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6-9H,10,14H2,1-5H3
InChIKeyWYUUHAORVPRPFB-UHFFFAOYSA-N
MW237.42 g/mol
LogP3.79
Rot. Bonds3

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

4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline (PubChem CID 11075470) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline
PubChem CID11075470
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(N)cc1
InChIInChI=1S/C13H23NOSi/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6-9H,10,14H2,1-5H3
InChIKeyWYUUHAORVPRPFB-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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]oxymethyl]aniline?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline (CID 11075470) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline is CC(C)(C)[Si](C)(C)OCc1ccc(N)cc1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline?
The InChIKey is WYUUHAORVPRPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6-9H,10,14H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline has a molecular weight of 237.42 g/mol, XLogP of 3.79, 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]aniline is sourced from PubChem (CID 11075470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).