1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline

C23H18F3N — CID 174918344

IUPAC1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)C(Cc2ccccc2)=NCC3)cc1
InChIInChI=1S/C23H18F3N/c24-23(25,26)20-10-8-17(9-11-20)19-7-6-18-12-13-27-22(21(18)15-19)14-16-4-2-1-3-5-16/h1-11,15H,12-14H2
InChIKeyQEKLHDVUANNDDK-UHFFFAOYSA-N
MW365.40 g/mol
LogP5.96
Rot. Bonds3

About 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline

1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline (PubChem CID 174918344) has the molecular formula C23H18F3N and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline
PubChem CID174918344
Molecular FormulaC23H18F3N
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)C(Cc2ccccc2)=NCC3)cc1
InChIInChI=1S/C23H18F3N/c24-23(25,26)20-10-8-17(9-11-20)19-7-6-18-12-13-27-22(21(18)15-19)14-16-4-2-1-3-5-16/h1-11,15H,12-14H2
InChIKeyQEKLHDVUANNDDK-UHFFFAOYSA-N
XLogP5.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline 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-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline?
The IUPAC name of 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline (CID 174918344) is 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline?
The canonical SMILES for 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline is FC(F)(F)c1ccc(-c2ccc3c(c2)C(Cc2ccccc2)=NCC3)cc1.
What is the InChIKey of 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline?
The InChIKey is QEKLHDVUANNDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N/c24-23(25,26)20-10-8-17(9-11-20)19-7-6-18-12-13-27-22(21(18)15-19)14-16-4-2-1-3-5-16/h1-11,15H,12-14H2.
What are the key properties of 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline?
1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline has a molecular weight of 365.40 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 174918344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).