1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C17H18FNO2 — CID 2828707

IUPAC1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1F)NCC2
InChIInChI=1S/C17H18FNO2/c1-20-15-9-11-7-8-19-17(13(11)10-16(15)21-2)12-5-3-4-6-14(12)18/h3-6,9-10,17,19H,7-8H2,1-2H3
InChIKeyOSOHYOOOJHCIHK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 2828707) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID2828707
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1F)NCC2
InChIInChI=1S/C17H18FNO2/c1-20-15-9-11-7-8-19-17(13(11)10-16(15)21-2)12-5-3-4-6-14(12)18/h3-6,9-10,17,19H,7-8H2,1-2H3
InChIKeyOSOHYOOOJHCIHK-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 2828707) is 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(c1ccccc1F)NCC2.
What is the InChIKey of 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OSOHYOOOJHCIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-20-15-9-11-7-8-19-17(13(11)10-16(15)21-2)12-5-3-4-6-14(12)18/h3-6,9-10,17,19H,7-8H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 287.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 2828707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).