Basic information
- CAS
602-54-0- Standard SMILES
CCN(CC)CCOc1ccc([C@@H]2c3ccccc3CC[C@H]2c2ccc(Cl)cc2)cc1- InChIKey
VVOIPUCATYCKHR-WUFINQPMSA-N- Molecular formula
- C28H32ClNO
- Average molar mass
- 434 g/mol
- Monoisotopic mass
- 433.2172423
Names & identifiers
- Preferred name
- trans-2-(p-(2-(p-Chlorophenyl)-1,2,3,4-tetrahydro-1-naphthyl)phenoxy)triethylamine
- IUPAC
- 2-[4-[(1R,2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-N,N-diethylethanamine
Names & synonyms
trans-2-(p-(2-(p-Chlorophenyl)-1,2,3,4-tetrahydro-1-naphthyl)phenoxy)triethylamineTriethylamine, 2-(p-(2-(p-chlorophenyl)-1,2,3,4-tetrahydro-1-naphthyl)phenoxy)-, (E)-602-54-0
Database identifiers
- CAS
602-54-0- PubChem CID
- 200147
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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