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Compound
N-2-[4-Iodophenoxy]ethyldodecylamine
HCID
18319005
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
CCCCCCCCCCCCNCCOc1ccc(I)cc1
InChIKey
DJPKXJBLGLUXGB-UHFFFAOYSA-N
Molecular formula
C20H34INO
Average molar mass
431.4 g/mol
Names & identifiers
Preferred name
N-2-[4-Iodophenoxy]ethyldodecylamine
IUPAC
N-[2-(4-iodophenoxy)ethyl]dodecan-1-amine
Names & synonyms
SCHEMBL7625541
DJPKXJBLGLUXGB-UHFFFAOYSA-N
N-2-[4-Iodophenoxy]ethyldodecylamine
Database identifiers
PubChem CID
18319005
Properties
Computed structural properties
XLogP
7.7
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
15
Heavy atoms
23
Formal charge
0
Complexity
242
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Related reactions
6 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
290668
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1383909
As product
uspto-grants-2001_07
HRID
1383910
As reactant
uspto-grants-2001_07
HRID
1700890
As product
uspto-grants-2002_02
HRID
1700891
As reactant
uspto-grants-2002_02
HRID
1700895
As reactant
uspto-grants-2002_02
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