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

C15H24F3NOSi — CID 58548915

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H24F3NOSi/c1-15(2,3)21(4,5)20-7-6-13(19)10-8-11(16)14(18)12(17)9-10/h8-9,13H,6-7,19H2,1-5H3
InChIKeyXVTNUYPQWLTMON-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.52
Rot. Bonds5

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

3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine (PubChem CID 58548915) has the molecular formula C15H24F3NOSi and a molecular weight of 319.44 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine
PubChem CID58548915
Molecular FormulaC15H24F3NOSi
Molecular Weight319.44 g/mol
Exact Mass319.16
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H24F3NOSi/c1-15(2,3)21(4,5)20-7-6-13(19)10-8-11(16)14(18)12(17)9-10/h8-9,13H,6-7,19H2,1-5H3
InChIKeyXVTNUYPQWLTMON-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.52
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 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine (CID 58548915) is 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine is CC(C)(C)[Si](C)(C)OCCC(N)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine?
The InChIKey is XVTNUYPQWLTMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NOSi/c1-15(2,3)21(4,5)20-7-6-13(19)10-8-11(16)14(18)12(17)9-10/h8-9,13H,6-7,19H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine?
3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine has a molecular weight of 319.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 58548915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).