3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline

C14H25NOSi — CID 89088484

IUPAC3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(N)c1
InChIInChI=1S/C14H25NOSi/c1-11(12-8-7-9-13(15)10-12)16-17(5,6)14(2,3)4/h7-11H,15H2,1-6H3/t11-/m0/s1
InChIKeyPFTGWNYUXKRMCS-NSHDSACASA-N
MW251.45 g/mol
LogP4.35
Rot. Bonds3

About 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline

3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline (PubChem CID 89088484) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline.

Molecular Properties

Compound Name3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
PubChem CID89088484
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(N)c1
InChIInChI=1S/C14H25NOSi/c1-11(12-8-7-9-13(15)10-12)16-17(5,6)14(2,3)4/h7-11H,15H2,1-6H3/t11-/m0/s1
InChIKeyPFTGWNYUXKRMCS-NSHDSACASA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 54.35
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

2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
CID 139706247
3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
CID 106665054
3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline
CID 66275415
tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane
CID 91734918
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol
CID 66783955
1-(3-aminophenyl)ethyl sulfite
CID 174384162
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 122223185
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
3-[1-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 102746962
2-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)acetaldehyde
CID 90002770
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline?
The IUPAC name of 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline (CID 89088484) is 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline.
What is the SMILES notation for 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline?
The canonical SMILES for 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline is C[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(N)c1.
What is the InChIKey of 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline?
The InChIKey is PFTGWNYUXKRMCS-NSHDSACASA-N. The full InChI is InChI=1S/C14H25NOSi/c1-11(12-8-7-9-13(15)10-12)16-17(5,6)14(2,3)4/h7-11H,15H2,1-6H3/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline?
3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline has a molecular weight of 251.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline is sourced from PubChem (CID 89088484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).