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[3-[(Dimethylamino)methyl]-2-propylphenyl] acetate

HCID 13781007
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Basic information

Standard SMILES
CCCc1c(CN(C)C)cccc1OC(C)=O
InChIKey
JXLOANJQNLXUSA-UHFFFAOYSA-N
Molecular formula
C14H21NO2
Average molar mass
235.32 g/mol

Names & identifiers

Preferred name
[3-[(Dimethylamino)methyl]-2-propylphenyl] acetate
IUPAC
[3-[(dimethylamino)methyl]-2-propylphenyl] acetate

Database identifiers

PubChem CID
13781007

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
240

Related reactions

1 records
New reaction record
HRID 212841 reaction equation
HRID 212841As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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