N-[1-(3-fluorophenyl)ethyl]butan-1-amine
Basic information
- CAS
1019619-80-7- Standard SMILES
CCCCNC(C)c1cccc(F)c1- InChIKey
QEJPYRNXKASEQO-UHFFFAOYSA-N- Molecular formula
- C12H18FN
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.14232774
Names & identifiers
- Preferred name
- N-[1-(3-fluorophenyl)ethyl]butan-1-amine
- IUPAC
- N-[1-(3-fluorophenyl)ethyl]butan-1-amine
Names & synonyms
DTXSID801261396AKOS000234927AKOS0172779741019619-80-7N-[1-(3-fluorophenyl)ethyl]butan-1-amineN-Butyl-3-fluoro-I+/--methylbenzenemethanamine
Database identifiers
- CAS
1019619-80-7- PubChem CID
- 21026554
- DTXSID
DTXSID801261396
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 149
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Compound notes
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