4-(3-Bromophenyl)-1-methyl-1,2,3,6-tetrahydropyridine
Basic information
- CAS
115900-06-6- Standard SMILES
CN1CC=C(c2cccc(Br)c2)CC1- InChIKey
NNEZPRJPBBKDSR-UHFFFAOYSA-N- Molecular formula
- C12H14BrN
- Average molar mass
- 252.15 g/mol
- Monoisotopic mass
- 251.03096
Names & identifiers
- Preferred name
- 4-(3-Bromophenyl)-1-methyl-1,2,3,6-tetrahydropyridine
- IUPAC
- 4-(3-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine
Names & synonyms
4-(3-Bromophenyl)-1-methyl-1,2,3,6-tetrahydropyridine115900-06-6Pyridine, 4-(3-bromophenyl)-1,2,3,6-tetrahydro-1-methyl-CHEMBL98048SCHEMBL13126339DTXSID80151221
Database identifiers
- CAS
115900-06-6- PubChem CID
- 189336
- DTXSID
DTXSID80151221- ChEMBL
CHEMBL98048- Nikkaji
- J438.795C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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