6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride

C18H17ClF3NO2 — CID 90672427

IUPAC6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)C(c1cccc(C(F)(F)F)c1)=NCC2.Cl
InChIInChI=1S/C18H16F3NO2.ClH/c1-23-15-9-11-6-7-22-17(14(11)10-16(15)24-2)12-4-3-5-13(8-12)18(19,20)21;/h3-5,8-10H,6-7H2,1-2H3;1H
InChIKeyYLSHYMMIJUOJEQ-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.54
Rot. Bonds3

About 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride

6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 90672427) has the molecular formula C18H17ClF3NO2 and a molecular weight of 371.79 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride
PubChem CID90672427
Molecular FormulaC18H17ClF3NO2
Molecular Weight371.79 g/mol
Exact Mass371.09
IUPAC Name6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)C(c1cccc(C(F)(F)F)c1)=NCC2.Cl
InChIInChI=1S/C18H16F3NO2.ClH/c1-23-15-9-11-6-7-22-17(14(11)10-16(15)24-2)12-4-3-5-13(8-12)18(19,20)21;/h3-5,8-10H,6-7H2,1-2H3;1H
InChIKeyYLSHYMMIJUOJEQ-UHFFFAOYSA-N
XLogP4.54
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride (CID 90672427) is 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride is COc1cc2c(cc1OC)C(c1cccc(C(F)(F)F)c1)=NCC2.Cl.
What is the InChIKey of 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is YLSHYMMIJUOJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2.ClH/c1-23-15-9-11-6-7-22-17(14(11)10-16(15)24-2)12-4-3-5-13(8-12)18(19,20)21;/h3-5,8-10H,6-7H2,1-2H3;1H.
What are the key properties of 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride?
6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 371.79 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 90672427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).