Basic information
- Standard SMILES
CCCCC1(C(N)Cc2ccccc2)OCCc2c1[nH]c1ccccc21- InChIKey
ZMWYCWLQQCFMJP-UHFFFAOYSA-N- Molecular formula
- C23H28N2O
- Average molar mass
- 348.5 g/mol
Names & identifiers
- Preferred name
- alpha-(1-Butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-yl)-benzeneethanamine
- IUPAC
- 1-(1-butyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-2-phenylethanamine
Names & synonyms
SCHEMBL11343921ZMWYCWLQQCFMJP-UHFFFAOYSA-Nalpha-(1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-yl)-benzeneethanamine
Database identifiers
- PubChem CID
- 20558359
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 449
Related reactions
2 records
Compound notes
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