5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline

C16H15F2N — CID 64688817

IUPAC5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1c2c(F)cc(F)cc2CNC1c1ccccc1
InChIInChI=1S/C16H15F2N/c1-10-15-12(7-13(17)8-14(15)18)9-19-16(10)11-5-3-2-4-6-11/h2-8,10,16,19H,9H2,1H3
InChIKeyNWEMLOKYQYEVOD-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.91
Rot. Bonds1

About 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline

5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64688817) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64688817
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1c2c(F)cc(F)cc2CNC1c1ccccc1
InChIInChI=1S/C16H15F2N/c1-10-15-12(7-13(17)8-14(15)18)9-19-16(10)11-5-3-2-4-6-11/h2-8,10,16,19H,9H2,1H3
InChIKeyNWEMLOKYQYEVOD-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,7-difluoro-4-methyl-3-phenyl-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 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 64688817) is 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline is CC1c2c(F)cc(F)cc2CNC1c1ccccc1.
What is the InChIKey of 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NWEMLOKYQYEVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c1-10-15-12(7-13(17)8-14(15)18)9-19-16(10)11-5-3-2-4-6-11/h2-8,10,16,19H,9H2,1H3.
What are the key properties of 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 259.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64688817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).