Basic information
- Standard SMILES
NCC1=CCOc2ccccc21- InChIKey
WRQGQTBQEWMFLP-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
Names & identifiers
- Preferred name
- 4-aminomethyl-2H-1-benzopyran
- IUPAC
- 2H-chromen-4-ylmethanamine
Names & synonyms
4-aminomethyl-2H-1-benzopyranCHEMBL337382SCHEMBL9724429WRQGQTBQEWMFLP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 12914869
- ChEMBL
CHEMBL337382
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Related reactions
2 records
Compound notes
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