Dibenzo(a,e)cycloheptatrien-5-ol, 1-(dimethylamino)methyl-2-methoxy-, hydrochloride

HCID 206151

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Basic information

CAS: 42981-87-3
Standard SMILES: COc1ccc2c(c1CN(C)C)C=Cc1ccccc1C2O.Cl
InChIKey: FCWFOYMDAYEYLV-UHFFFAOYSA-N
Molecular formula: C19H22ClNO2
Average molar mass: 331.8 g/mol
Monoisotopic mass: 331.1339066

Names & identifiers

Preferred name: Dibenzo(a,e)cycloheptatrien-5-ol, 1-(dimethylamino)methyl-2-methoxy-, hydrochloride
IUPAC: 7-[(dimethylamino)methyl]-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol;hydrochloride

Names & synonyms

1-(Dimethylamino)methyl-2-methoxydibenzo(a,e)cycloheptatrien-5-ol hydrochloride42981-87-3Dibenzo(a,e)cycloheptatrien-5-ol, 1-(dimethylamino)methyl-2-methoxy-, hydrochlorideRefChem:337055DTXSID509628261-[(Dimethylamino)methyl]-2-methoxy-5H-dibenzo[a,d][7]annulen-5-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 42981-87-3
PubChem CID: 206151
DTXSID: DTXSID50962826

Properties

Computed structural properties

Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 395

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