Basic information
- CAS
134672-79-0- Standard SMILES
CCCCCCNCc1ccc(F)cc1F- InChIKey
CNFIXRVRXFWZOU-UHFFFAOYSA-N- Molecular formula
- C13H19F2N
- Average molar mass
- 227.29 g/mol
- Monoisotopic mass
- 227.14855593
Names & identifiers
- Preferred name
- N-Hexyl-2,4-difluorobenzylamine
- IUPAC
- N-[(2,4-difluorophenyl)methyl]hexan-1-amine
Names & synonyms
SCHEMBL9156094N-Hexyl-2,4-difluorobenzylamineCNFIXRVRXFWZOU-UHFFFAOYSA-NDTXSID501282278AKOS0089891832,4-Difluoro-N-hexylbenzenemethanamineN-[(2,4-difluorophenyl)methyl]hexan-1-amine134672-79-0
Database identifiers
- CAS
134672-79-0- PubChem CID
- 19986431
- DTXSID
DTXSID501282278
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 175
Related reactions
4 records
Compound notes
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