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

HCID 3045773

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Basic information

CAS: 61098-79-1
Standard SMILES: Br.CC(C)=CCN1C2CCCC(c3cccc(O)c3)(C2)C1C
InChIKey: GYTMHUUOZQYFEY-UHFFFAOYSA-N
Molecular formula: C19H28BrNO
Average molar mass: 366.3 g/mol
Monoisotopic mass: 365.13543

Names & identifiers

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

Names & synonyms

61098-79-1Phenol, 3-(7-methyl-6-(3-methyl-2-butenyl)-6-azabicyclo(3.2.1)oct-1-yl)-, hydrobromide, endo-(+-)-RefChem:369156CHEMBL3251465DTXSID609766163-[7-Methyl-6-(3-methylbut-2-en-1-yl)-6-azabicyclo[3.2.1]octan-1-yl]phenol--hydrogen bromide (1/1)

Database identifiers

CAS: 61098-79-1
PubChem CID: 3045773
DTXSID: DTXSID60976616
ChEMBL: CHEMBL3251465

Properties

Computed structural properties

Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 400

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