2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline

C18H25NOSi — CID 154489620

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C18H25NOSi/c1-18(2,3)21(4,5)20-15-12-10-14(11-13-15)16-8-6-7-9-17(16)19/h6-13H,19H2,1-5H3
InChIKeyCUSXYZGVRQLCSM-UHFFFAOYSA-N
MW299.49 g/mol
LogP5.32
Rot. Bonds3

About 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline

2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline (PubChem CID 154489620) has the molecular formula C18H25NOSi and a molecular weight of 299.49 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
PubChem CID154489620
Molecular FormulaC18H25NOSi
Molecular Weight299.49 g/mol
Exact Mass299.17
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C18H25NOSi/c1-18(2,3)21(4,5)20-15-12-10-14(11-13-15)16-8-6-7-9-17(16)19/h6-13H,19H2,1-5H3
InChIKeyCUSXYZGVRQLCSM-UHFFFAOYSA-N
XLogP5.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.49
LogP ≤ 55.32
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-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline (CID 154489620) is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline is CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccccc2N)cc1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline?
The InChIKey is CUSXYZGVRQLCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOSi/c1-18(2,3)21(4,5)20-15-12-10-14(11-13-15)16-8-6-7-9-17(16)19/h6-13H,19H2,1-5H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline?
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline has a molecular weight of 299.49 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline is sourced from PubChem (CID 154489620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).