5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline

C17H17F2NO — CID 64689196

IUPAC5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1c2c(cccc2OC(F)F)CNC1c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-11-15-13(8-5-9-14(15)21-17(18)19)10-20-16(11)12-6-3-2-4-7-12/h2-9,11,16-17,20H,10H2,1H3
InChIKeyGFBYCXVPAHBGEI-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.24
Rot. Bonds3

About 5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline

5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64689196) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64689196
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1c2c(cccc2OC(F)F)CNC1c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-11-15-13(8-5-9-14(15)21-17(18)19)10-20-16(11)12-6-3-2-4-7-12/h2-9,11,16-17,20H,10H2,1H3
InChIKeyGFBYCXVPAHBGEI-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethoxy)-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-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 64689196) is 5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline is CC1c2c(cccc2OC(F)F)CNC1c1ccccc1.
What is the InChIKey of 5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GFBYCXVPAHBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-11-15-13(8-5-9-14(15)21-17(18)19)10-20-16(11)12-6-3-2-4-7-12/h2-9,11,16-17,20H,10H2,1H3.
What are the key properties of 5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 289.32 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64689196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).