Benzenemethanamine, N-butyl-3,5-difluoro-
Basic information
- CAS
90390-31-1- Standard SMILES
CCCCNCc1cc(F)cc(F)c1- InChIKey
MRVMVGPOWMSSDI-UHFFFAOYSA-N- Molecular formula
- C11H15F2N
- Average molar mass
- 199.24 g/mol
- Monoisotopic mass
- 199.11725581
Names & identifiers
- Preferred name
- Benzenemethanamine, N-butyl-3,5-difluoro-
- IUPAC
- N-[(3,5-difluorophenyl)methyl]butan-1-amine
Names & synonyms
Benzenemethanamine, N-butyl-3,5-difluoro-90390-31-1DTXSID10238150RefChem:324829DTXCID30160641N-[(3,5-difluorophenyl)methyl]butan-1-amineCHEMBL1182994
Database identifiers
- CAS
90390-31-1- PubChem CID
- 457614
- DTXSID
DTXSID10238150- ChEMBL
CHEMBL1182994
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 142
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Compound notes
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