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3-Methyl-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline

HCID 59536307
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1Cc2ccccc2C(c2ccc(C(F)(F)F)cc2)N1
InChIKey
QQYKLMXXQQWKCZ-UHFFFAOYSA-N
Molecular formula
C17H16F3N
Average molar mass
291.31 g/mol

Names & identifiers

Preferred name
3-Methyl-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline
IUPAC
3-methyl-1-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

Names & synonyms

3-Methyl-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinolineSCHEMBL3073694

Database identifiers

PubChem CID
59536307

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
21
Formal charge
0
Complexity
346

Related reactions

6 records
New reaction record
HRID 135617 reaction equation
HRID 135617As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 182321 reaction equation
HRID 182321As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 445361 reaction equation
HRID 445361As productuspto-grants-2013_07
HRID 445362 reaction equation
HRID 445362As reactantuspto-grants-2013_07
HRID 1546439 reaction equation
HRID 1546439As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2127756 reaction equation
HRID 2127756As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes