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2-[Dimethylamino(phenyl)methyl]-1-[(4-methoxyphenyl)methyl]cyclohexan-1-ol

HCID 9798651
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CC2(O)CCCCC2C(c2ccccc2)N(C)C)cc1
InChIKey
WBCYOSSZAJLKEG-UHFFFAOYSA-N
Molecular formula
C23H31NO2
Average molar mass
353.5 g/mol

Names & identifiers

Preferred name
2-[Dimethylamino(phenyl)methyl]-1-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
IUPAC
2-[dimethylamino(phenyl)methyl]-1-[(4-methoxyphenyl)methyl]cyclohexan-1-ol

Names & synonyms

SCHEMBL6939728

Database identifiers

PubChem CID
9798651

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
32.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
26
Formal charge
0
Complexity
412

Related reactions

1 records
New reaction record
HRID 173010 reaction equation
HRID 173010As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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