Basic information
- CAS
5754-56-3- Standard SMILES
CCC1NCCc2c1[nH]c1ccc(OC)cc21- InChIKey
AOFMJEKZQPTEDI-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-ethyl-6-methoxy-
- IUPAC
- 1-ethyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Names & synonyms
BRN 57467415754-56-31,2,3,4-Tetrahydro-1-ethyl-6-methoxy-9H-pyrido(3,4-b)indole9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-ethyl-6-methoxy-RefChem:3136425-methoxytetrahydrohapmaneOprea1_087680Oprea1_168622SCHEMBL14043228DTXSID209730801-ethyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole1-Ethyl-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
Database identifiers
- CAS
5754-56-3- PubChem CID
- 201272
- DTXSID
DTXSID20973080- Nikkaji
- J85.831E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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