Basic information
- CAS
1375069-42-3- Standard SMILES
COC(=O)c1ccc2c(c1Cl)CCN(Cc1ccccc1)C2- InChIKey
VSVYEKNQJAHEBT-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO2
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1026065
Names & identifiers
- Preferred name
- Methyl 2-benzyl-5-chloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylate
- IUPAC
- methyl 2-benzyl-5-chloro-3,4-dihydro-1H-isoquinoline-6-carboxylate
Names & synonyms
1375069-42-3METHYL 2-BENZYL-5-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLATEDTXSID30857463DB-370727METHYL2-BENZYL-5-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLATE
Database identifiers
- CAS
1375069-42-3- PubChem CID
- 71744331
- DTXSID
DTXSID30857463
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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