Benzenemethanamine, N-butyl-3-chloro-5-fluoro-
Basic information
- CAS
90390-37-7- Standard SMILES
CCCCNCc1cc(F)cc(Cl)c1- InChIKey
KJMFIDSZWSKRED-UHFFFAOYSA-N- Molecular formula
- C11H15ClFN
- Average molar mass
- 215.69 g/mol
- Monoisotopic mass
- 215.0877053
Names & identifiers
- Preferred name
- Benzenemethanamine, N-butyl-3-chloro-5-fluoro-
- IUPAC
- N-[(3-chloro-5-fluorophenyl)methyl]butan-1-amine
Names & synonyms
Benzenemethanamine, N-butyl-3-chloro-5-fluoro-90390-37-7N-[(3-chloro-5-fluorophenyl)methyl]butan-1-amineCHEMBL1178162DTXSID70238156N-[(3-chloro-5-fluoro-phenyl)methyl]butan-1-amine
Database identifiers
- CAS
90390-37-7- PubChem CID
- 457620
- DTXSID
DTXSID70238156- ChEMBL
CHEMBL1178162
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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