2-Ethyl-1,2,3,4-tetrahydroisoquinolin-5-yl acetate
Basic information
- CAS
16232-63-6- Standard SMILES
CCN1CCc2c(cccc2OC(C)=O)C1- InChIKey
DJWSISSSSIPXFY-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 2-Ethyl-1,2,3,4-tetrahydroisoquinolin-5-yl acetate
- IUPAC
- (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl) acetate
Names & synonyms
2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-yl acetateDTXSID90138414916232-63-6
Database identifiers
- CAS
16232-63-6- PubChem CID
- 27765
- DTXSID
DTXSID901384149
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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