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Basic information
- Standard SMILES
CC(C)NCC1Cc2cccc(Cl)c2O1- InChIKey
OCPQFNKKUJFNEP-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO
- Average molar mass
- 225.71 g/mol
- Monoisotopic mass
- 225.0920418
Names & identifiers
- Preferred name
- N-[(7-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine
- IUPAC
- N-[(7-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine
Database identifiers
- PubChem CID
- 36779
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
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Compound notes
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