Phenol, 3-(7-methyl-6-(2-propenyl)-6-azabicyclo(3.2.1)oct-1-yl)-, hydrochloride, endo-(+-)-

HCID 3045771

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Basic information

CAS: 59695-62-4
Standard SMILES: C=CCN1C2CCCC(c3cccc(O)c3)(C2)C1C.Cl
InChIKey: IUWAAGJWYXFRMA-UHFFFAOYSA-N
Molecular formula: C17H24ClNO
Average molar mass: 293.8 g/mol
Monoisotopic mass: 293.1546421

Names & identifiers

Preferred name: Phenol, 3-(7-methyl-6-(2-propenyl)-6-azabicyclo(3.2.1)oct-1-yl)-, hydrochloride, endo-(+-)-
IUPAC: 3-(7-methyl-6-prop-2-enyl-6-azabicyclo[3.2.1]octan-1-yl)phenol;hydrochloride

Names & synonyms

endo-(+-)-3-(7-Methyl-6-(2-propenyl)-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloridePhenol, 3-(7-methyl-6-(2-propenyl)-6-azabicyclo(3.2.1)oct-1-yl)-, hydrochloride, endo-(+-)-61098-77-9RefChem:369154CHEMBL3251463DTXSID009766153-[7-Methyl-6-(prop-2-en-1-yl)-6-azabicyclo[3.2.1]octan-1-yl]phenol--hydrogen chloride (1/1)

Database identifiers

CAS: 59695-62-4、61098-77-9
PubChem CID: 3045771
DTXSID: DTXSID00976615
ChEMBL: CHEMBL3251463

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: 342

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