[(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane

C16H26BrNOSi — CID 123224990

IUPAC[(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1Cc2c(Br)cccc2CN1
InChIInChI=1S/C16H26BrNOSi/c1-16(2,3)20(4,5)19-11-13-9-14-12(10-18-13)7-6-8-15(14)17/h6-8,13,18H,9-11H2,1-5H3/t13-/m1/s1
InChIKeyRFDUOEZRCGXWBG-CYBMUJFWSA-N
MW356.38 g/mol
LogP4.49
Rot. Bonds3

About [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane

[(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 123224990) has the molecular formula C16H26BrNOSi and a molecular weight of 356.38 g/mol. Its IUPAC name is [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID123224990
Molecular FormulaC16H26BrNOSi
Molecular Weight356.38 g/mol
Exact Mass355.10
IUPAC Name[(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1Cc2c(Br)cccc2CN1
InChIInChI=1S/C16H26BrNOSi/c1-16(2,3)20(4,5)19-11-13-9-14-12(10-18-13)7-6-8-15(14)17/h6-8,13,18H,9-11H2,1-5H3/t13-/m1/s1
InChIKeyRFDUOEZRCGXWBG-CYBMUJFWSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.49
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 [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane (CID 123224990) is [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1Cc2c(Br)cccc2CN1.
What is the InChIKey of [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is RFDUOEZRCGXWBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26BrNOSi/c1-16(2,3)20(4,5)19-11-13-9-14-12(10-18-13)7-6-8-15(14)17/h6-8,13,18H,9-11H2,1-5H3/t13-/m1/s1.
What are the key properties of [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane?
[(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 356.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 123224990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).