[2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine

C13H22BrNOSi — CID 167725875

IUPAC[2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(CN)c1Br
InChIInChI=1S/C13H22BrNOSi/c1-13(2,3)17(4,5)16-11-8-6-7-10(9-15)12(11)14/h6-8H,9,15H2,1-5H3
InChIKeyIQFLECGSBHXWGY-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.29
Rot. Bonds3

About [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine

[2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine (PubChem CID 167725875) has the molecular formula C13H22BrNOSi and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine
PubChem CID167725875
Molecular FormulaC13H22BrNOSi
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name[2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(CN)c1Br
InChIInChI=1S/C13H22BrNOSi/c1-13(2,3)17(4,5)16-11-8-6-7-10(9-15)12(11)14/h6-8H,9,15H2,1-5H3
InChIKeyIQFLECGSBHXWGY-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.29
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 [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine?
The IUPAC name of [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine (CID 167725875) is [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine.
What is the SMILES notation for [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine?
The canonical SMILES for [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine is CC(C)(C)[Si](C)(C)Oc1cccc(CN)c1Br.
What is the InChIKey of [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine?
The InChIKey is IQFLECGSBHXWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNOSi/c1-13(2,3)17(4,5)16-11-8-6-7-10(9-15)12(11)14/h6-8H,9,15H2,1-5H3.
What are the key properties of [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine?
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine has a molecular weight of 316.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine is sourced from PubChem (CID 167725875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).