Ethyl 4-[(1,2,3,4-tetrahydroquinolin-2-ylmethyl)amino]benzoate
Basic information
- CAS
25119-45-3- Standard SMILES
CCOC(=O)c1ccc(NCC2CCc3ccccc3N2)cc1- InChIKey
NVTXWNVRYRXWPJ-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.16812795
Names & identifiers
- Preferred name
- Ethyl 4-[(1,2,3,4-tetrahydroquinolin-2-ylmethyl)amino]benzoate
- IUPAC
- ethyl 4-(1,2,3,4-tetrahydroquinolin-2-ylmethylamino)benzoate
Names & synonyms
25119-45-3ethyl 4-[(1,2,3,4-tetrahydroquinolin-2-ylmethyl)amino]benzoateNSC123345DTXSID40298464NSC-123345Ethyl 4-{[(1,2,3,4-tetrahydroquinolin-2-yl)methyl]amino}benzoate
Database identifiers
- CAS
25119-45-3- PubChem CID
- 276103
- DTXSID
DTXSID40298464
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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