Basic information
- CAS
5684-65-1- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCNC3C(C)C- InChIKey
WHHXPUSBXUWSNB-UHFFFAOYSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-isopropyl-6-methoxy-
- IUPAC
- 6-methoxy-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Names & synonyms
BRN 57477485684-65-19H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-isopropyl-6-methoxy-1,2,3,4-Tetrahydro-1-isopropyl-6-methoxy-9H-pyrido(3,4-b)indoleRefChem:313644Oprea1_767653DTXSID909722672,3,4,9-tetrahydro-1-isopropyl-6-methoxy-1h-pyrido [3,4-b]indole6-Methoxy-1-(propan-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Database identifiers
- CAS
5684-65-1- PubChem CID
- 201236
- DTXSID
DTXSID90972267- Nikkaji
- J85.841B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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