Phenol, 3-(7-methyl-6-propyl-6-azabicyclo(3.2.1)oct-1-yl)-, hydrochloride, endo-(+-)-

HCID 3045779

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Basic information

CAS: 61104-32-3
Standard SMILES: CCCN1C2CCCC(c3cccc(O)c3)(C2)C1C.Cl
InChIKey: MDYJHZDIBMPQJF-UHFFFAOYSA-N
Molecular formula: C17H26ClNO
Average molar mass: 295.8 g/mol
Monoisotopic mass: 295.1702921

Names & identifiers

Preferred name: Phenol, 3-(7-methyl-6-propyl-6-azabicyclo(3.2.1)oct-1-yl)-, hydrochloride, endo-(+-)-
IUPAC: 3-(7-methyl-6-propyl-6-azabicyclo[3.2.1]octan-1-yl)phenol;hydrochloride

Names & synonyms

endo-(+-)-3-(7-Methyl-6-propyl-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloride61104-32-3Phenol, 3-(7-methyl-6-propyl-6-azabicyclo(3.2.1)oct-1-yl)-, hydrochloride, endo-(+-)-RefChem:369158CHEMBL3251459SCHEMBL11864229DTXSID109766263-(7-Methyl-6-propyl-6-azabicyclo[3.2.1]octan-1-yl)phenol--hydrogen chloride (1/1)

Database identifiers

CAS: 61104-32-3
PubChem CID: 3045779
DTXSID: DTXSID10976626
ChEMBL: CHEMBL3251459

Properties

Computed structural properties

Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 318

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