2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline

C18H33NOSi — CID 139706247

IUPAC2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
SMILESCC(O[Si](C)(C)C(C)(C)C)c1ccc(C(C)(C)C)c(N)c1
InChIInChI=1S/C18H33NOSi/c1-13(20-21(8,9)18(5,6)7)14-10-11-15(16(19)12-14)17(2,3)4/h10-13H,19H2,1-9H3
InChIKeyKAVYZTPOKFAWFF-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.65
Rot. Bonds3

About 2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline

2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline (PubChem CID 139706247) has the molecular formula C18H33NOSi and a molecular weight of 307.55 g/mol. Its IUPAC name is 2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline.

Molecular Properties

Compound Name2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
PubChem CID139706247
Molecular FormulaC18H33NOSi
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
SMILESCC(O[Si](C)(C)C(C)(C)C)c1ccc(C(C)(C)C)c(N)c1
InChIInChI=1S/C18H33NOSi/c1-13(20-21(8,9)18(5,6)7)14-10-11-15(16(19)12-14)17(2,3)4/h10-13H,19H2,1-9H3
InChIKeyKAVYZTPOKFAWFF-UHFFFAOYSA-N
XLogP5.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.65
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-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline?
The IUPAC name of 2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline (CID 139706247) is 2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline.
What is the SMILES notation for 2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline?
The canonical SMILES for 2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline is CC(O[Si](C)(C)C(C)(C)C)c1ccc(C(C)(C)C)c(N)c1.
What is the InChIKey of 2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline?
The InChIKey is KAVYZTPOKFAWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOSi/c1-13(20-21(8,9)18(5,6)7)14-10-11-15(16(19)12-14)17(2,3)4/h10-13H,19H2,1-9H3.
What are the key properties of 2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline?
2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline has a molecular weight of 307.55 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline is sourced from PubChem (CID 139706247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).