2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline

C15H14BrN — CID 135040546

IUPAC2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline
SMILESBrc1ccccc1N1CCc2ccccc2C1
InChIInChI=1S/C15H14BrN/c16-14-7-3-4-8-15(14)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2
InChIKeyAXJAXJLXJOOBID-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.01
Rot. Bonds1

About 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline

2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 135040546) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID135040546
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline
SMILESBrc1ccccc1N1CCc2ccccc2C1
InChIInChI=1S/C15H14BrN/c16-14-7-3-4-8-15(14)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2
InChIKeyAXJAXJLXJOOBID-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline (CID 135040546) is 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline is Brc1ccccc1N1CCc2ccccc2C1.
What is the InChIKey of 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is AXJAXJLXJOOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-14-7-3-4-8-15(14)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2.
What are the key properties of 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline?
2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 288.19 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 135040546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).