4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline

C15H27NOSi — CID 86731586

IUPAC4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccc(N)cc1
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-6-7-13-8-10-14(16)11-9-13/h8-11H,6-7,12,16H2,1-5H3
InChIKeyAABVOGZBSJYPSH-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.22
Rot. Bonds5

About 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline

4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline (PubChem CID 86731586) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
PubChem CID86731586
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccc(N)cc1
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-6-7-13-8-10-14(16)11-9-13/h8-11H,6-7,12,16H2,1-5H3
InChIKeyAABVOGZBSJYPSH-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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]aniline
CID 18788179
[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
CID 156732410
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]acetic acid;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol
CID 68632649
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282
tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane
CID 175965094
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline
CID 68654630
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline
CID 166154406
tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
CID 24796696
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202

Frequently Asked Questions

What is the IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline (CID 86731586) is 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline is CC(C)(C)[Si](C)(C)OCCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline?
The InChIKey is AABVOGZBSJYPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-6-7-13-8-10-14(16)11-9-13/h8-11H,6-7,12,16H2,1-5H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline?
4-[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 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline is sourced from PubChem (CID 86731586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).