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

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Basic information

CAS: 61226-58-2
Standard SMILES: Cl.Oc1cccc(C23CCCC(C2)N(CC2CC2)C3)c1
InChIKey: LFLUZEOSIFGGMN-UHFFFAOYSA-N
Molecular formula: C17H24ClNO
Average molar mass: 293.8 g/mol
Monoisotopic mass: 293.1546421

Names & identifiers

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

Names & synonyms

(+-)-3-(6-(Cyclopropylmethyl)-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloride61226-58-2Phenol, 3-(6-(cyclopropylmethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, hydrochloride, (+-)-RefChem:369149CHEMBL3251448DTXSID409767353-[6-(Cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol--hydrogen chloride (1/1)

Database identifiers

CAS: 61226-58-2
PubChem CID: 3045871
DTXSID: DTXSID40976735
ChEMBL: CHEMBL3251448

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: 340

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Compound notes

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