1H-Benz(g)indazole-1-ethanamine, 4,5-dihydro-8-methoxy-alpha-methyl-
Basic information
- CAS
176721-35-0- Standard SMILES
COc1ccc2c(c1)-c1c(cnn1CC(C)N)CC2- InChIKey
KCFYPWYDTZRWGE-UHFFFAOYSA-N- Molecular formula
- C15H19N3O
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.15281224
Names & identifiers
- Preferred name
- 1H-Benz(g)indazole-1-ethanamine, 4,5-dihydro-8-methoxy-alpha-methyl-
- IUPAC
- 1-(8-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)propan-2-amine
Names & synonyms
176721-35-0Ro 60-0475SCHEMBL7767551DTXSID50938844KCFYPWYDTZRWGE-UHFFFAOYSA-N1H-Benz(g)indazole-1-ethanamine, 4,5-dihydro-8-methoxy-alpha-methyl-1-(8-Methoxy-4,5-dihydro-1H-benzo[g]indazol-1-yl)propan-2-amine(RS)-2-(4,5-dihydro-8-methoxy-1H-benz[g]indazol-1-yl)-1-methyl-ethylamine
Database identifiers
- CAS
176721-35-0- PubChem CID
- 3045230
- DTXSID
DTXSID50938844- Nikkaji
- J973.449J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
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Related reactions
1 records
Compound notes
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