Benzenemethanamine, 3-chloro-5-fluoro-N-propyl-
Basic information
- CAS
90390-36-6- Standard SMILES
CCCNCc1cc(F)cc(Cl)c1- InChIKey
PHBRVPWSAOFHSN-UHFFFAOYSA-N- Molecular formula
- C10H13ClFN
- Average molar mass
- 201.67 g/mol
- Monoisotopic mass
- 201.0720553
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-chloro-5-fluoro-N-propyl-
- IUPAC
- N-[(3-chloro-5-fluorophenyl)methyl]propan-1-amine
Names & synonyms
90390-36-6Benzenemethanamine, 3-chloro-5-fluoro-N-propyl-3-CHLORO-5-FLUORO-N-PROPYL-BENZENEMETHANAMINEN-[(3-chloro-5-fluorophenyl)methyl]propan-1-amineCHEMBL1178181DTXSID10238155N-[(3-chloro-5-fluoro-phenyl)methyl]propan-1-amine
Database identifiers
- CAS
90390-36-6- PubChem CID
- 457619
- DTXSID
DTXSID10238155- ChEMBL
CHEMBL1178181
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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