1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride

C18H21ClFNO2 — CID 141074894

IUPAC1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
SMILESCON1CCc2ccccc2C1(Cc1ccc(F)cc1)OC.Cl
InChIInChI=1S/C18H20FNO2.ClH/c1-21-18(13-14-7-9-16(19)10-8-14)17-6-4-3-5-15(17)11-12-20(18)22-2;/h3-10H,11-13H2,1-2H3;1H
InChIKeyFTFWMXZIFAXETC-UHFFFAOYSA-N
MW337.82 g/mol
LogP3.71
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride

1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 141074894) has the molecular formula C18H21ClFNO2 and a molecular weight of 337.82 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
PubChem CID141074894
Molecular FormulaC18H21ClFNO2
Molecular Weight337.82 g/mol
Exact Mass337.12
IUPAC Name1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
SMILESCON1CCc2ccccc2C1(Cc1ccc(F)cc1)OC.Cl
InChIInChI=1S/C18H20FNO2.ClH/c1-21-18(13-14-7-9-16(19)10-8-14)17-6-4-3-5-15(17)11-12-20(18)22-2;/h3-10H,11-13H2,1-2H3;1H
InChIKeyFTFWMXZIFAXETC-UHFFFAOYSA-N
XLogP3.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride (CID 141074894) is 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride is CON1CCc2ccccc2C1(Cc1ccc(F)cc1)OC.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is FTFWMXZIFAXETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2.ClH/c1-21-18(13-14-7-9-16(19)10-8-14)17-6-4-3-5-15(17)11-12-20(18)22-2;/h3-10H,11-13H2,1-2H3;1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride?
1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 337.82 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 141074894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).