Basic information
- Standard SMILES
CCc1c(Br)cccc1C1=CCN(Cc2ccccc2)CC1- InChIKey
MZTAKHPWVLFJLG-UHFFFAOYSA-N- Molecular formula
- C20H22BrN
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 355.09356
Names & identifiers
- Preferred name
- 1-Benzyl-4-(3-bromo-2-ethylphenyl)-1,2,3,6-tetrahydropyridine
- IUPAC
- 1-benzyl-4-(3-bromo-2-ethylphenyl)-3,6-dihydro-2H-pyridine
Names & synonyms
1334608-03-51-benzyl-4-(3-bromo-2-ethylphenyl)-1,2,3,6-tetrahydropyridineSCHEMBL1293201MZTAKHPWVLFJLG-UHFFFAOYSA-NSY413313DB-1212761-benzyl-4-(3-bromo-2-ethyl-phenyl)-1,2,3,6-tetrahydro-pyridine
Database identifiers
- PubChem CID
- 58494129
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Related reactions
2 records
Compound notes
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