5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline

C13H13NO — CID 53472046

IUPAC5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline
SMILESCOc1cc2c3c(cccc3c1)CNC2
InChIInChI=1S/C13H13NO/c1-15-12-5-9-3-2-4-10-7-14-8-11(6-12)13(9)10/h2-6,14H,7-8H2,1H3
InChIKeyZNCMCJHWGGXSLJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.45
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline

5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline (PubChem CID 53472046) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline
PubChem CID53472046
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline
SMILESCOc1cc2c3c(cccc3c1)CNC2
InChIInChI=1S/C13H13NO/c1-15-12-5-9-3-2-4-10-7-14-8-11(6-12)13(9)10/h2-6,14H,7-8H2,1H3
InChIKeyZNCMCJHWGGXSLJ-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline (CID 53472046) is 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline is COc1cc2c3c(cccc3c1)CNC2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline?
The InChIKey is ZNCMCJHWGGXSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-15-12-5-9-3-2-4-10-7-14-8-11(6-12)13(9)10/h2-6,14H,7-8H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline?
5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline has a molecular weight of 199.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline is sourced from PubChem (CID 53472046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).