Ethyl 6-(3,4-dihydroisoquinolin-2(1H)-yl)hexanoate
Basic information
- CAS
88014-12-4- Standard SMILES
CCOC(=O)CCCCCN1CCc2ccccc2C1- InChIKey
NKWRRUDMBOHWFC-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Names & identifiers
- Preferred name
- Ethyl 6-(3,4-dihydroisoquinolin-2(1H)-yl)hexanoate
- IUPAC
- ethyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
Names & synonyms
88014-12-4Ethyl 6-(3,4-dihydroisoquinolin-2(1H)-yl)hexanoateDTXSID90518184AKOS013618255
Database identifiers
- CAS
88014-12-4- PubChem CID
- 13101554
- DTXSID
DTXSID90518184
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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