7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline

C15H18BrN — CID 67538221

IUPAC7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline
SMILESBrc1ccc2c(c1)C(C1CCCCC1)=NCC2
InChIInChI=1S/C15H18BrN/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2
InChIKeyYNGDJYLOZLMVJT-UHFFFAOYSA-N
MW292.22 g/mol
LogP4.37
Rot. Bonds1

About 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline

7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline (PubChem CID 67538221) has the molecular formula C15H18BrN and a molecular weight of 292.22 g/mol. Its IUPAC name is 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline
PubChem CID67538221
Molecular FormulaC15H18BrN
Molecular Weight292.22 g/mol
Exact Mass291.06
IUPAC Name7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline
SMILESBrc1ccc2c(c1)C(C1CCCCC1)=NCC2
InChIInChI=1S/C15H18BrN/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2
InChIKeyYNGDJYLOZLMVJT-UHFFFAOYSA-N
XLogP4.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline?
The IUPAC name of 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline (CID 67538221) is 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline?
The canonical SMILES for 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline is Brc1ccc2c(c1)C(C1CCCCC1)=NCC2.
What is the InChIKey of 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline?
The InChIKey is YNGDJYLOZLMVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2.
What are the key properties of 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline?
7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline has a molecular weight of 292.22 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-cyclohexyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 67538221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).