6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline

C23H20F3NO — CID 3024619

IUPAC6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3NO/c1-28-20-10-11-21-16(15-20)12-13-27(19-8-3-2-4-9-19)22(21)17-6-5-7-18(14-17)23(24,25)26/h2-11,14-15,22H,12-13H2,1H3
InChIKeyCRGSEZGTSABFPT-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.87
Rot. Bonds3

About 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline

6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 3024619) has the molecular formula C23H20F3NO and a molecular weight of 383.41 g/mol. Its IUPAC name is 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
PubChem CID3024619
Molecular FormulaC23H20F3NO
Molecular Weight383.41 g/mol
Exact Mass383.15
IUPAC Name6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3NO/c1-28-20-10-11-21-16(15-20)12-13-27(19-8-3-2-4-9-19)22(21)17-6-5-7-18(14-17)23(24,25)26/h2-11,14-15,22H,12-13H2,1H3
InChIKeyCRGSEZGTSABFPT-UHFFFAOYSA-N
XLogP5.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline (CID 3024619) is 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1ccccc1)C2c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is CRGSEZGTSABFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO/c1-28-20-10-11-21-16(15-20)12-13-27(19-8-3-2-4-9-19)22(21)17-6-5-7-18(14-17)23(24,25)26/h2-11,14-15,22H,12-13H2,1H3.
What are the key properties of 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 383.41 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3024619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).