Basic information
- CAS
133671-48-4- Standard SMILES
CN(C)CCNc1cc(-c2ccc(Br)cc2)nc2ccccc12- InChIKey
QDEMCBGBMLZPKX-UHFFFAOYSA-N- Molecular formula
- C19H20BrN3
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 369.08406
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N'-(2-(4-bromophenyl)-4-quinolinyl)-N,N-dimethyl-
- IUPAC
- N-[2-(4-bromophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Names & synonyms
133671-48-41,2-Ethanediamine, N'-(2-(4-bromophenyl)-4-quinolinyl)-N,N-dimethyl-N-(2-(Dimethylamino)ethyl)-2-(4-bromophenyl)quinolin-4-amineN-[2-(Dimethylamino)ethyl]-2-(4-bromophenyl)quinolin-4-amine1,2-Ethanediamine, N'-[2-(4-bromophenyl)-4-quinolinyl]-N,N-dimethyl-CHEMBL46206DTXSID30158301N-[2-(4-bromophenyl)-4-quinolyl]-N',N'-dimethyl-ethane-1,2-diamineN~2~-[2-(4-Bromophenyl)quinolin-4-yl]-N~1~,N~1~-dimethylethane-1,2-diamine
Database identifiers
- CAS
133671-48-4- PubChem CID
- 453053
- DTXSID
DTXSID30158301- ChEMBL
CHEMBL46206- Nikkaji
- J410.078F
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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