Basic information
- CAS
66168-35-2- Standard SMILES
COc1ccc(CCN2CCc3c([nH]c4ccccc34)C2)cc1OC- InChIKey
IRTBBONJVGTILC-UHFFFAOYSA-N- Molecular formula
- C21H24N2O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.18377801
Names & identifiers
- Preferred name
- 2-(2-(3,4-Dimethoxyphenyl)ethyl)-2,3,4,9-tetrahydro-1H-beta-carboline
- IUPAC
- 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
Names & synonyms
2-(2-(3,4-Dimethoxyphenyl)ethyl)-2,3,4,9-tetrahydro-1H-beta-carboline66168-35-2DTXSID502163562-[2-(3,4-Dimethoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Database identifiers
- CAS
66168-35-2- PubChem CID
- 181783
- DTXSID
DTXSID50216356
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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