Benzenemethanamine, 3,5-difluoro-N-propyl-
Basic information
- CAS
90390-30-0- Standard SMILES
CCCNCc1cc(F)cc(F)c1- InChIKey
SOOBCOHBHTWLOZ-UHFFFAOYSA-N- Molecular formula
- C10H13F2N
- Average molar mass
- 185.21 g/mol
- Monoisotopic mass
- 185.10160574
Names & identifiers
- Preferred name
- Benzenemethanamine, 3,5-difluoro-N-propyl-
- IUPAC
- N-[(3,5-difluorophenyl)methyl]propan-1-amine
Names & synonyms
Benzenemethanamine, 3,5-difluoro-N-propyl-90390-30-0N-[(3,5-difluorophenyl)methyl]propan-1-amineCHEMBL1182985DTXSID00238149
Database identifiers
- CAS
90390-30-0- PubChem CID
- 457613
- DTXSID
DTXSID00238149- ChEMBL
CHEMBL1182985
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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