4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline

C18H24FNOSi — CID 140664911

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H24FNOSi/c1-18(2,3)22(4,5)21-17-12-10-16(11-13-17)20-15-8-6-14(19)7-9-15/h6-13,20H,1-5H3
InChIKeyYDEVFKXFMJZOJU-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.95
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline

4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline (PubChem CID 140664911) has the molecular formula C18H24FNOSi and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline
PubChem CID140664911
Molecular FormulaC18H24FNOSi
Molecular Weight317.48 g/mol
Exact Mass317.16
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H24FNOSi/c1-18(2,3)22(4,5)21-17-12-10-16(11-13-17)20-15-8-6-14(19)7-9-15/h6-13,20H,1-5H3
InChIKeyYDEVFKXFMJZOJU-UHFFFAOYSA-N
XLogP5.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.95
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 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline (CID 140664911) is 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline is CC(C)(C)[Si](C)(C)Oc1ccc(Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline?
The InChIKey is YDEVFKXFMJZOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNOSi/c1-18(2,3)22(4,5)21-17-12-10-16(11-13-17)20-15-8-6-14(19)7-9-15/h6-13,20H,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline?
4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline has a molecular weight of 317.48 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 140664911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).