6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Basic information
- CAS
27507-45-5- Standard SMILES
CCC1C2Cc3ccc(O)cc3C1(CC)CCN2C- InChIKey
JYRBQCWXZNDERM-UHFFFAOYSA-N- Molecular formula
- C17H25NO
- Average molar mass
- 259.4 g/mol
- Monoisotopic mass
- 259.19361442
Names & identifiers
- Preferred name
- 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
- IUPAC
- 1,13-diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Names & synonyms
27507-45-5DTXSID509501876,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-olRefChem:1073539DTXCID601378353NIOSH/PB8615000beta-(+-)-5,9-Diethyl-2'-hydroxy-2-methyl-6,7-benzomorphanPB86150000alpha-(+-)-2'-Hydroxy-5,9-diethyl-2'-hydroxy-2-methyl-6,7-benzomorphan2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-diethyl-3-methyl-, alpha-(+-)-2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-diethyl-3-methyl-, beta-(+-)-NCIOpen2_004475
Show more names
cid_266438CHEMBL3546162BDBM94150JYRBQCWXZNDERM-UHFFFAOYSA-NN-Methylpiperidino[2,4-b,c]1,2,3,4-tetrahydro-3,4-diethyl-6-hydroxynaphthalene
Database identifiers
- CAS
27507-45-5- PubChem CID
- 31037
- DTXSID
DTXSID50950187- ChEMBL
CHEMBL3546162
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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