Basic information
- CAS
1378920-00-3- Standard SMILES
CCCNC1CCCC(c2ccc(F)c(F)c2)C1- InChIKey
YAOICCPJQCSFLQ-UHFFFAOYSA-N- Molecular formula
- C15H21F2N
- Average molar mass
- 253.33 g/mol
- Monoisotopic mass
- 253.164206
Names & identifiers
- Preferred name
- 3-(3,4-difluorophenyl)-N-propylcyclohexan-1-amine
- IUPAC
- 3-(3,4-difluorophenyl)-N-propylcyclohexan-1-amine
Names & synonyms
DTXSID401232949AKOS0138202983-(3,4-difluorophenyl)-N-propylcyclohexan-1-amineCyclohexanamine, 3-(3,4-difluorophenyl)-N-propyl-1378920-00-3
Database identifiers
- CAS
1378920-00-3- PubChem CID
- 64496166
- DTXSID
DTXSID401232949
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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