3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine

C25H30FNOSi — CID 58102091

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](OCCC(N)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30FNOSi/c1-25(2,3)29(22-10-6-4-7-11-22,23-12-8-5-9-13-23)28-19-18-24(27)20-14-16-21(26)17-15-20/h4-17,24H,18-19,27H2,1-3H3
InChIKeyWLPJLIWMFILLPR-UHFFFAOYSA-N
MW407.61 g/mol
LogP4.79
Rot. Bonds7

About 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine

3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine (PubChem CID 58102091) has the molecular formula C25H30FNOSi and a molecular weight of 407.61 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine
PubChem CID58102091
Molecular FormulaC25H30FNOSi
Molecular Weight407.61 g/mol
Exact Mass407.21
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](OCCC(N)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30FNOSi/c1-25(2,3)29(22-10-6-4-7-11-22,23-12-8-5-9-13-23)28-19-18-24(27)20-14-16-21(26)17-15-20/h4-17,24H,18-19,27H2,1-3H3
InChIKeyWLPJLIWMFILLPR-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 54.79
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 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine (CID 58102091) is 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine is CC(C)(C)[Si](OCCC(N)c1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is WLPJLIWMFILLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FNOSi/c1-25(2,3)29(22-10-6-4-7-11-22,23-12-8-5-9-13-23)28-19-18-24(27)20-14-16-21(26)17-15-20/h4-17,24H,18-19,27H2,1-3H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine?
3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 407.61 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 58102091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).