Phenol, 3-(6-hexyl-6-azabicyclo(3.2.1)oct-1-yl)-, hydrochloride, (+-)-

HCID 3045753

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Basic information

CAS: 61098-65-5
Standard SMILES: CCCCCCN1CC2(c3cccc(O)c3)CCCC1C2.Cl
InChIKey: JQZKEKIMHYCWBE-UHFFFAOYSA-N
Molecular formula: C19H30ClNO
Average molar mass: 323.9 g/mol
Monoisotopic mass: 323.2015923

Names & identifiers

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

Names & synonyms

(+-)-3-(6-Hexyl-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloride61098-65-5Phenol, 3-(6-hexyl-6-azabicyclo(3.2.1)oct-1-yl)-, hydrochloride, (+-)-RefChem:369153CHEMBL3251447DTXSID709766073-(6-Hexyl-6-azabicyclo[3.2.1]octan-1-yl)phenol--hydrogen chloride (1/1)

Database identifiers

CAS: 61098-65-5
PubChem CID: 3045753
DTXSID: DTXSID70976607
ChEMBL: CHEMBL3251447

Properties

Computed structural properties

Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 332

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