4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline

C14H23BrFNOSi — CID 123161684

IUPAC4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc(Br)c(F)c1
InChIInChI=1S/C14H23BrFNOSi/c1-14(2,3)19(4,5)18-9-8-17-11-6-7-12(15)13(16)10-11/h6-7,10,17H,8-9H2,1-5H3
InChIKeyUJZKBDDEIHVWJQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP5.02
Rot. Bonds5

About 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline

4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline (PubChem CID 123161684) has the molecular formula C14H23BrFNOSi and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline
PubChem CID123161684
Molecular FormulaC14H23BrFNOSi
Molecular Weight348.33 g/mol
Exact Mass347.07
IUPAC Name4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc(Br)c(F)c1
InChIInChI=1S/C14H23BrFNOSi/c1-14(2,3)19(4,5)18-9-8-17-11-6-7-12(15)13(16)10-11/h6-7,10,17H,8-9H2,1-5H3
InChIKeyUJZKBDDEIHVWJQ-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.33
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline?
The IUPAC name of 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline (CID 123161684) is 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline?
The canonical SMILES for 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline is CC(C)(C)[Si](C)(C)OCCNc1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline?
The InChIKey is UJZKBDDEIHVWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrFNOSi/c1-14(2,3)19(4,5)18-9-8-17-11-6-7-12(15)13(16)10-11/h6-7,10,17H,8-9H2,1-5H3.
What are the key properties of 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline?
4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline has a molecular weight of 348.33 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoroaniline is sourced from PubChem (CID 123161684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).