5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine

C12H21BrN2OSi — CID 59734229

IUPAC5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Br)cc(N)c1N
InChIInChI=1S/C12H21BrN2OSi/c1-12(2,3)17(4,5)16-10-7-8(13)6-9(14)11(10)15/h6-7H,14-15H2,1-5H3
InChIKeyLZZVNSWDZKKRND-UHFFFAOYSA-N
MW317.30 g/mol
LogP4.00
Rot. Bonds2

About 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine

5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine (PubChem CID 59734229) has the molecular formula C12H21BrN2OSi and a molecular weight of 317.30 g/mol. Its IUPAC name is 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine.

Molecular Properties

Compound Name5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine
PubChem CID59734229
Molecular FormulaC12H21BrN2OSi
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Br)cc(N)c1N
InChIInChI=1S/C12H21BrN2OSi/c1-12(2,3)17(4,5)16-10-7-8(13)6-9(14)11(10)15/h6-7H,14-15H2,1-5H3
InChIKeyLZZVNSWDZKKRND-UHFFFAOYSA-N
XLogP4.00
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine?
The IUPAC name of 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine (CID 59734229) is 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine.
What is the SMILES notation for 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine?
The canonical SMILES for 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine is CC(C)(C)[Si](C)(C)Oc1cc(Br)cc(N)c1N.
What is the InChIKey of 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine?
The InChIKey is LZZVNSWDZKKRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2OSi/c1-12(2,3)17(4,5)16-10-7-8(13)6-9(14)11(10)15/h6-7H,14-15H2,1-5H3.
What are the key properties of 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine?
5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine has a molecular weight of 317.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine is sourced from PubChem (CID 59734229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).