Basic information
- CAS
1249192-84-4- Standard SMILES
CCCCCC(CN)Cc1cccc(F)c1- InChIKey
OGQPPSRAXGETKF-UHFFFAOYSA-N- Molecular formula
- C14H22FN
- Average molar mass
- 223.33 g/mol
- Monoisotopic mass
- 223.17362787
Names & identifiers
- Preferred name
- 3-Fluoro-I(2)-pentylbenzenepropanamine
- IUPAC
- 2-[(3-fluorophenyl)methyl]heptan-1-amine
Names & synonyms
DTXSID201293335AKOS0118193573-Fluoro-I(2)-pentylbenzenepropanamine2-[(3-fluorophenyl)methyl]heptan-1-amine1249192-84-4
Database identifiers
- CAS
1249192-84-4- PubChem CID
- 62529195
- DTXSID
DTXSID201293335
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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