2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline

C15H27NOSi — CID 18788179

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccccc1N
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-8-10-13-9-6-7-11-14(13)16/h6-7,9,11H,8,10,12,16H2,1-5H3
InChIKeyCELMMESRJSXJID-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.22
Rot. Bonds5

About 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline

2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline (PubChem CID 18788179) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
PubChem CID18788179
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccccc1N
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-8-10-13-9-6-7-11-14(13)16/h6-7,9,11H,8,10,12,16H2,1-5H3
InChIKeyCELMMESRJSXJID-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate
CID 159421207
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane
CID 101433900
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849
tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
CID 102153241
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619

Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline (CID 18788179) is 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline is CC(C)(C)[Si](C)(C)OCCCc1ccccc1N.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline?
The InChIKey is CELMMESRJSXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-8-10-13-9-6-7-11-14(13)16/h6-7,9,11H,8,10,12,16H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline?
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline has a molecular weight of 265.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline is sourced from PubChem (CID 18788179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).