Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-
Basic information
- CAS
90390-35-5- Standard SMILES
CCNCc1cc(F)cc(Cl)c1- InChIKey
GUQUBIDXRKHURR-UHFFFAOYSA-N- Molecular formula
- C9H11ClFN
- Average molar mass
- 187.64 g/mol
- Monoisotopic mass
- 187.0564052
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-
- IUPAC
- N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
Names & synonyms
Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-90390-35-53-CHLORO-N-ETHYL-5-FLUORO-BENZENEMETHANAMINEN-[(3-chloro-5-fluorophenyl)methyl]ethanamineCHEMBL1183010DTXSID50238154N-[(3-chloro-5-fluoro-phenyl)methyl]ethanamine90389-73-4
Database identifiers
- CAS
90390-35-5- PubChem CID
- 457618
- DTXSID
DTXSID50238154- ChEMBL
CHEMBL1183010
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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