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

C18H20FNO2 — CID 141074895

IUPAC1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline
SMILESCON1CCc2ccccc2C1(Cc1ccc(F)cc1)OC
InChIInChI=1S/C18H20FNO2/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
InChIKeyDYVDXTVBLOKACG-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.29
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline (PubChem CID 141074895) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline
PubChem CID141074895
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline
SMILESCON1CCc2ccccc2C1(Cc1ccc(F)cc1)OC
InChIInChI=1S/C18H20FNO2/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
InChIKeyDYVDXTVBLOKACG-UHFFFAOYSA-N
XLogP3.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.29
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?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline (CID 141074895) is 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline is CON1CCc2ccccc2C1(Cc1ccc(F)cc1)OC.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline?
The InChIKey is DYVDXTVBLOKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/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.
What are the key properties of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline?
1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline has a molecular weight of 301.36 g/mol, XLogP of 3.29, 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 is sourced from PubChem (CID 141074895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).