2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine

C14H22F3NOSi — CID 67428073

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCC(C)(C)[Si](C)(C)OCC(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H22F3NOSi/c1-14(2,3)20(4,5)19-8-12(18)9-6-10(15)13(17)11(16)7-9/h6-7,12H,8,18H2,1-5H3
InChIKeyOYZVIDIUXPYBGK-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.13
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine

2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 67428073) has the molecular formula C14H22F3NOSi and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine
PubChem CID67428073
Molecular FormulaC14H22F3NOSi
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCC(C)(C)[Si](C)(C)OCC(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H22F3NOSi/c1-14(2,3)20(4,5)19-8-12(18)9-6-10(15)13(17)11(16)7-9/h6-7,12H,8,18H2,1-5H3
InChIKeyOYZVIDIUXPYBGK-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine (CID 67428073) is 2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine is CC(C)(C)[Si](C)(C)OCC(N)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is OYZVIDIUXPYBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NOSi/c1-14(2,3)20(4,5)19-8-12(18)9-6-10(15)13(17)11(16)7-9/h6-7,12H,8,18H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine?
2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine has a molecular weight of 305.42 g/mol, XLogP of 4.13, 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-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 67428073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).