2-bromo-4-trimethylsilyloxyaniline

C9H14BrNOSi — CID 130639886

IUPAC2-bromo-4-trimethylsilyloxyaniline
SMILESC[Si](C)(C)Oc1ccc(N)c(Br)c1
InChIInChI=1S/C9H14BrNOSi/c1-13(2,3)12-7-4-5-9(11)8(10)6-7/h4-6H,11H2,1-3H3
InChIKeySPKWJFAFLDTFPN-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.24
Rot. Bonds2

About 2-bromo-4-trimethylsilyloxyaniline

2-bromo-4-trimethylsilyloxyaniline (PubChem CID 130639886) has the molecular formula C9H14BrNOSi and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-bromo-4-trimethylsilyloxyaniline.

Molecular Properties

Compound Name2-bromo-4-trimethylsilyloxyaniline
PubChem CID130639886
Molecular FormulaC9H14BrNOSi
Molecular Weight260.21 g/mol
Exact Mass259.00
IUPAC Name2-bromo-4-trimethylsilyloxyaniline
SMILESC[Si](C)(C)Oc1ccc(N)c(Br)c1
InChIInChI=1S/C9H14BrNOSi/c1-13(2,3)12-7-4-5-9(11)8(10)6-7/h4-6H,11H2,1-3H3
InChIKeySPKWJFAFLDTFPN-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-((Tert-butyldimethylsilyl)oxy)aniline
CID 11715553
2-Bromo-4-methoxyaniline
CID 10899671
Silanamine, 1,1,1-trimethyl-N-[4-[(trimethylsilyl)oxy]phenyl]-
CID 617129
4-Amino-3-bromophenol
CID 15713940
4-Trimethylsilyloxyaniline
CID 597273
2-Bromo-4-ethoxyaniline
CID 15555500
4-((Triisopropylsilyl)oxy)aniline
CID 86719492
3-Bromo-4-diazoniophenolate
CID 101907280
2-bromo-N-fluoro-4-methoxyaniline
CID 174521230
4-Dimethylsilyloxyaniline
CID 71361253
4-Amino-3-bromo-2-fluorophenol
CID 92133957
4-[Fluoro(dimethyl)silyl]oxyaniline
CID 129933919

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-trimethylsilyloxyaniline?
The IUPAC name of 2-bromo-4-trimethylsilyloxyaniline (CID 130639886) is 2-bromo-4-trimethylsilyloxyaniline.
What is the SMILES notation for 2-bromo-4-trimethylsilyloxyaniline?
The canonical SMILES for 2-bromo-4-trimethylsilyloxyaniline is C[Si](C)(C)Oc1ccc(N)c(Br)c1.
What is the InChIKey of 2-bromo-4-trimethylsilyloxyaniline?
The InChIKey is SPKWJFAFLDTFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOSi/c1-13(2,3)12-7-4-5-9(11)8(10)6-7/h4-6H,11H2,1-3H3.
What are the key properties of 2-bromo-4-trimethylsilyloxyaniline?
2-bromo-4-trimethylsilyloxyaniline has a molecular weight of 260.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-trimethylsilyloxyaniline is sourced from PubChem (CID 130639886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).