6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline

C15H14BrN — CID 126622848

IUPAC6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESBrc1cc2c(cc1-c1ccccc1)CNCC2
InChIInChI=1S/C15H14BrN/c16-15-9-12-6-7-17-10-13(12)8-14(15)11-4-2-1-3-5-11/h1-5,8-9,17H,6-7,10H2
InChIKeyBMIYOABMGFMVTG-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.76
Rot. Bonds1

About 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline

6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 126622848) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID126622848
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESBrc1cc2c(cc1-c1ccccc1)CNCC2
InChIInChI=1S/C15H14BrN/c16-15-9-12-6-7-17-10-13(12)8-14(15)11-4-2-1-3-5-11/h1-5,8-9,17H,6-7,10H2
InChIKeyBMIYOABMGFMVTG-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 126622848) is 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline is Brc1cc2c(cc1-c1ccccc1)CNCC2.
What is the InChIKey of 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BMIYOABMGFMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-15-9-12-6-7-17-10-13(12)8-14(15)11-4-2-1-3-5-11/h1-5,8-9,17H,6-7,10H2.
What are the key properties of 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline?
6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 288.19 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 126622848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).