6-Methoxy-2-capryloyl-1,2,3,4-tetrahydroisoquinoline

HCID 20155809
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Basic information

Standard SMILES
CCCCCCCC(=O)N1CCc2cc(OC)ccc2C1
InChIKey
HVUNYDYAMRPHJR-UHFFFAOYSA-N
Molecular formula
C18H27NO2
Average molar mass
289.4 g/mol
Monoisotopic mass
289.2041791

Names & identifiers

Preferred name
6-Methoxy-2-capryloyl-1,2,3,4-tetrahydroisoquinoline
IUPAC
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)octan-1-one

Names & synonyms

SCHEMBL10678740HVUNYDYAMRPHJR-UHFFFAOYSA-N6-Methoxy-2-capryloyl-1,2,3,4-tetrahydroisoquinoline

Database identifiers

PubChem CID
20155809

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
21

Related reactions

4 records
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Compound notes

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