3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C19H20F3N — CID 144539880

IUPAC3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccc(CCC2Cc3cc(C(F)(F)F)ccc3CN2)c1
InChIInChI=1S/C19H20F3N/c1-13-3-2-4-14(9-13)5-8-18-11-16-10-17(19(20,21)22)7-6-15(16)12-23-18/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3
InChIKeySGJPFTLJKAAHST-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.66
Rot. Bonds3

About 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 144539880) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID144539880
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccc(CCC2Cc3cc(C(F)(F)F)ccc3CN2)c1
InChIInChI=1S/C19H20F3N/c1-13-3-2-4-14(9-13)5-8-18-11-16-10-17(19(20,21)22)7-6-15(16)12-23-18/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3
InChIKeySGJPFTLJKAAHST-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84718259
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene
CID 145489428
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 144539851
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 105092775
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105456803
1-(3,3-difluorobutyl)-3-methylbenzene
CID 169204430

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 144539880) is 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is Cc1cccc(CCC2Cc3cc(C(F)(F)F)ccc3CN2)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SGJPFTLJKAAHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N/c1-13-3-2-4-14(9-13)5-8-18-11-16-10-17(19(20,21)22)7-6-15(16)12-23-18/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3.
What are the key properties of 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 319.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 144539880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).