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2-Benzyl-3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline

HCID 50469
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1Cc2cccc(-c3ccccc3)c2CN1Cc1ccccc1
InChIKey
IKVUBRLFMDLBAM-UHFFFAOYSA-N
Molecular formula
C23H23N
Average molar mass
313.4 g/mol

Names & identifiers

Preferred name
2-Benzyl-3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline
IUPAC
2-benzyl-3-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline

Names & synonyms

CHEMBL536717CHEMBL1188537SCHEMBL11487854IKVUBRLFMDLBAM-UHFFFAOYSA-N2-benzyl-3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinolineBDBM50222408

Database identifiers

PubChem CID
50469
ChEMBL
CHEMBL1188537、CHEMBL536717

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
379

Related reactions

2 records
New reaction record
HRID 27243 reaction equation
HRID 27243As productuspto-grants-1980_09
HRID 694613 reaction equation
HRID 694613As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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