2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine

C15H26F5NOSSi — CID 174011188

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)OCCNCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C15H26F5NOSSi/c1-15(2,3)24(4,5)22-11-10-21-12-13-6-8-14(9-7-13)23(16,17,18,19)20/h6-9,21H,10-12H2,1-5H3
InChIKeyKEOAGUGMPULZFM-UHFFFAOYSA-N
MW391.52 g/mol
LogP6.46
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine

2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine (PubChem CID 174011188) has the molecular formula C15H26F5NOSSi and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine
PubChem CID174011188
Molecular FormulaC15H26F5NOSSi
Molecular Weight391.52 g/mol
Exact Mass391.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)OCCNCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C15H26F5NOSSi/c1-15(2,3)24(4,5)22-11-10-21-12-13-6-8-14(9-7-13)23(16,17,18,19)20/h6-9,21H,10-12H2,1-5H3
InChIKeyKEOAGUGMPULZFM-UHFFFAOYSA-N
XLogP6.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]ethanamine
CID 11427595
N-benzyl-5-[tert-butyl(dimethyl)silyl]oxypentan-1-amine
CID 11709316
2-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxy]-N-[[4-[2-[1,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethoxy]propan-2-yloxy]ethoxymethyl]phenyl]methyl]ethanamine;methane
CID 158022412
(2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine
CID 71761913
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethylaniline
CID 123497942
3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]propan-1-ol
CID 156692863
2-[tert-butyl(dimethyl)silyl]oxyethylhydrazine
CID 57142085
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyridine-2-carbaldehyde
CID 142526581
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethanol
CID 70662083
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine (CID 174011188) is 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine is CC(C)(C)[Si](C)(C)OCCNCc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine?
The InChIKey is KEOAGUGMPULZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F5NOSSi/c1-15(2,3)24(4,5)22-11-10-21-12-13-6-8-14(9-7-13)23(16,17,18,19)20/h6-9,21H,10-12H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine?
2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine has a molecular weight of 391.52 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 174011188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).