6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine

C21H20FNOSi — CID 158962096

IUPAC6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine
SMILESC[SiH](C)Cc1cccc2c1oc1c(Nc3ccc(F)cc3)cccc12
InChIInChI=1S/C21H20FNOSi/c1-25(2)13-14-5-3-6-17-18-7-4-8-19(21(18)24-20(14)17)23-16-11-9-15(22)10-12-16/h3-12,23,25H,13H2,1-2H3
InChIKeyYKIJYSZINDOGDV-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.04
Rot. Bonds4

About 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine

6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine (PubChem CID 158962096) has the molecular formula C21H20FNOSi and a molecular weight of 349.48 g/mol. Its IUPAC name is 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine
PubChem CID158962096
Molecular FormulaC21H20FNOSi
Molecular Weight349.48 g/mol
Exact Mass349.13
IUPAC Name6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine
SMILESC[SiH](C)Cc1cccc2c1oc1c(Nc3ccc(F)cc3)cccc12
InChIInChI=1S/C21H20FNOSi/c1-25(2)13-14-5-3-6-17-18-7-4-8-19(21(18)24-20(14)17)23-16-11-9-15(22)10-12-16/h3-12,23,25H,13H2,1-2H3
InChIKeyYKIJYSZINDOGDV-UHFFFAOYSA-N
XLogP6.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.04
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 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine?
The IUPAC name of 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine (CID 158962096) is 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine is C[SiH](C)Cc1cccc2c1oc1c(Nc3ccc(F)cc3)cccc12.
What is the InChIKey of 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine?
The InChIKey is YKIJYSZINDOGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNOSi/c1-25(2)13-14-5-3-6-17-18-7-4-8-19(21(18)24-20(14)17)23-16-11-9-15(22)10-12-16/h3-12,23,25H,13H2,1-2H3.
What are the key properties of 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine?
6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine has a molecular weight of 349.48 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsilylmethyl)-N-(4-fluorophenyl)dibenzofuran-4-amine is sourced from PubChem (CID 158962096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).