2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine

C14H24FNOSi — CID 59527969

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
SMILESCC(C)(C)[Si](C)(C)OCC(N)c1ccc(F)cc1
InChIInChI=1S/C14H24FNOSi/c1-14(2,3)18(4,5)17-10-13(16)11-6-8-12(15)9-7-11/h6-9,13H,10,16H2,1-5H3
InChIKeyXATUEULPDDXXKD-UHFFFAOYSA-N
MW269.44 g/mol
LogP3.85
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine

2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine (PubChem CID 59527969) has the molecular formula C14H24FNOSi and a molecular weight of 269.44 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
PubChem CID59527969
Molecular FormulaC14H24FNOSi
Molecular Weight269.44 g/mol
Exact Mass269.16
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
SMILESCC(C)(C)[Si](C)(C)OCC(N)c1ccc(F)cc1
InChIInChI=1S/C14H24FNOSi/c1-14(2,3)18(4,5)17-10-13(16)11-6-8-12(15)9-7-11/h6-9,13H,10,16H2,1-5H3
InChIKeyXATUEULPDDXXKD-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine (CID 59527969) is 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine is CC(C)(C)[Si](C)(C)OCC(N)c1ccc(F)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine?
The InChIKey is XATUEULPDDXXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNOSi/c1-14(2,3)18(4,5)17-10-13(16)11-6-8-12(15)9-7-11/h6-9,13H,10,16H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine?
2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine has a molecular weight of 269.44 g/mol, XLogP of 3.85, 4 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-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 59527969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).