Basic information
- CAS
86446-16-4- Standard SMILES
COc1cccc(C2(CCN(C)C)C=CCCC2)c1.Cl- InChIKey
JXGPWHGFWOETBV-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO
- Average molar mass
- 295.8 g/mol
- Monoisotopic mass
- 295.1702921
Overview
structure given in first source
Names & identifiers
- Preferred name
- Ro 12-9150
- IUPAC
- 2-[1-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylethanamine;hydrochloride
Names & synonyms
86446-16-4Ro 12-9150Ro-12-9150RefChem:1796102-(1-(3-Methoxyphenyl)-2-cyclohexen-1-yl)-N,N-dimethylethylamine hcl2-[1-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylethanamine;hydrochlorideorb1695449SCHEMBL11088606DTXSID101006846AKOS040753777T343472-(3'-Methoxy-3,4-dihydro[1,1'-biphenyl]-1(2H)-yl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
86446-16-4- PubChem CID
- 135751
- DTXSID
DTXSID101006846
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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