2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile

C13H19BrN2OSi — CID 134994574

IUPAC2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
SMILESCN(C)C(C#N)(O[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2OSi/c1-16(2)13(10-15,17-18(3,4)5)11-6-8-12(14)9-7-11/h6-9H,1-5H3
InChIKeyBPBVBJRSEUDDLM-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile

2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile (PubChem CID 134994574) has the molecular formula C13H19BrN2OSi and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
PubChem CID134994574
Molecular FormulaC13H19BrN2OSi
Molecular Weight327.30 g/mol
Exact Mass326.05
IUPAC Name2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
SMILESCN(C)C(C#N)(O[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2OSi/c1-16(2)13(10-15,17-18(3,4)5)11-6-8-12(14)9-7-11/h6-9H,1-5H3
InChIKeyBPBVBJRSEUDDLM-UHFFFAOYSA-N
XLogP3.54
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Lithium 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile
CID 134884226
2-(Dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 134927534
2-(Dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
CID 134994048
[1-(4-Bromophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134997176

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile (CID 134994574) is 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile is CN(C)C(C#N)(O[Si](C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile?
The InChIKey is BPBVBJRSEUDDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OSi/c1-16(2)13(10-15,17-18(3,4)5)11-6-8-12(14)9-7-11/h6-9H,1-5H3.
What are the key properties of 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile?
2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile has a molecular weight of 327.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 134994574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).