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4-(2-Cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol

HCID 67642002
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cccc(C2(O)CCC(CCC3CCCC3)CC2CN(C)C)c1
InChIKey
ZYODEWYATNSTLB-UHFFFAOYSA-N
Molecular formula
C24H39NO2
Average molar mass
373.6 g/mol

Names & identifiers

Preferred name
4-(2-Cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol
IUPAC
4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol

Names & synonyms

SCHEMBL8025053

Database identifiers

PubChem CID
67642002

Properties

Computed structural properties

XLogP
6
Topological polar surface area
32.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
27
Formal charge
0
Complexity
434

Related reactions

1 records
New reaction record
HRID 1227944 reaction equation
HRID 1227944As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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