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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Related Compounds

3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
CID 89088484
ethyl 5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
CID 140749116
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol
CID 66783955
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-amine
CID 87544194
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide
CID 10426239
4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylaniline
CID 163374975
tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane
CID 91734918
5-(1-methoxyethyl)-2-methylaniline
CID 102569795
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid
CID 69196947
1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane
CID 152674428
4-tert-butyl-1-N-methylbenzene-1,3-diamine
CID 130787957
tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane
CID 102396896

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).