1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine

C14H23F2NOSi — CID 176884904

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)(O[Si](C)(C)C(C)(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H23F2NOSi/c1-13(2,3)19(5,6)18-14(4,17)10-7-11(15)9-12(16)8-10/h7-9H,17H2,1-6H3
InChIKeyVETLQVZGIWKUKA-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.12
Rot. Bonds3

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

1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine (PubChem CID 176884904) has the molecular formula C14H23F2NOSi and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine
PubChem CID176884904
Molecular FormulaC14H23F2NOSi
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)(O[Si](C)(C)C(C)(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H23F2NOSi/c1-13(2,3)19(5,6)18-14(4,17)10-7-11(15)9-12(16)8-10/h7-9H,17H2,1-6H3
InChIKeyVETLQVZGIWKUKA-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N,N-dimethyl-1-phenyl-1-trimethylsilyloxyethanamine
CID 11208552
[1-(4-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996816
[1-(2-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134999093
(1R)-1-amino-1-(2-fluorophenyl)ethanol
CID 54133304
3-[Tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propan-1-amine
CID 58548913
2-[Tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
CID 59527969
2-[Tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)ethanamine
CID 67428073
6-(2,4,5-Trifluorophenyl)-1-tri(propan-2-yl)silyloxycyclohex-2-en-1-amine
CID 68973595
1-Amino-1-(2-fluorophenyl)-3-methylbutan-1-ol
CID 70516309
1-Amino-1-(2,3-difluorophenyl)ethanol
CID 89781655
CID 140287087
CID 140287087
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine
CID 140876946

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine (CID 176884904) is 1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine is CC(N)(O[Si](C)(C)C(C)(C)C)c1cc(F)cc(F)c1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine?
The InChIKey is VETLQVZGIWKUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NOSi/c1-13(2,3)19(5,6)18-14(4,17)10-7-11(15)9-12(16)8-10/h7-9H,17H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine?
1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 176884904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).