Basic information
- Standard SMILES
NC1(CO)CCC(c2ccc(C#CCOCc3ccccc3)cc2)C1- InChIKey
QIZDJJHRVYEYHF-UHFFFAOYSA-N- Molecular formula
- C22H25NO2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.18852904
Names & identifiers
- Preferred name
- [1-Amino-3-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]cyclopentyl]methanol
- IUPAC
- [1-amino-3-[4-(3-phenylmethoxyprop-1-ynyl)phenyl]cyclopentyl]methanol
Names & synonyms
SCHEMBL10080508
Database identifiers
- PubChem CID
- 68029352
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
2 records
Compound notes
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