2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

HCID 35922

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Basic information

CAS: 5267-13-0
Standard SMILES: COc1cc2c(cc1OC)CN(Cc1ccc(F)cc1)CC2
InChIKey: XOZSNVGTVYSWOI-UHFFFAOYSA-N
Molecular formula: C18H20FNO2
Average molar mass: 301.4 g/mol
Monoisotopic mass: 301.14780704

Names & identifiers

Preferred name: 2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
IUPAC: 2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Names & synonyms

2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline5267-13-02-(4-fluorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineCambridge id 5267130Oprea1_177761MLS001164056CHEMBL1523427DTXSID40275376HMS2886C20STK599138AKOS005520225NCGC00246291-01

Show more names

SMR000539475AB00078068-012-[(4-Fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Database identifiers

CAS: 5267-13-0
PubChem CID: 35922
DTXSID: DTXSID40275376
ChEMBL: CHEMBL1523427

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 346

Experimental & physicochemical properties

Solubility35.7 [ug/mL] (The mean of the results at pH 7.4)

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