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N-2-[4-Iodophenoxy]ethyldodecylamine

HCID 18319005
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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

SCHEMBL7625541DJPKXJBLGLUXGB-UHFFFAOYSA-NN-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

Related reactions

6 records
New reaction record
HRID 290668 reaction equation
HRID 290668As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1383909 reaction equation
HRID 1383909As productuspto-grants-2001_07
HRID 1383910 reaction equation
HRID 1383910As reactantuspto-grants-2001_07
HRID 1700890 reaction equation
HRID 1700890As productuspto-grants-2002_02
HRID 1700891 reaction equation
HRID 1700891As reactantuspto-grants-2002_02
HRID 1700895 reaction equation
HRID 1700895As reactantuspto-grants-2002_02

Compound notes

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