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4-(3-Methanesulfonyl-propoxy)-2-methoxy-phenylamine

HCID 58286293
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(OCCCS(C)(=O)=O)ccc1N
InChIKey
WGRXXVJBRWLNAN-UHFFFAOYSA-N
Molecular formula
C11H17NO4S
Average molar mass
259.32 g/mol

Names & identifiers

Preferred name
4-(3-Methanesulfonyl-propoxy)-2-methoxy-phenylamine
IUPAC
2-methoxy-4-(3-methylsulfonylpropoxy)aniline

Names & synonyms

SCHEMBL223422WGRXXVJBRWLNAN-UHFFFAOYSA-N4-(3-methanesulfonyl-propoxy)-2-methoxy-phenylamine

Database identifiers

PubChem CID
58286293

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
87 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
312

Related reactions

4 records
New reaction record
HRID 100890 reaction equation
HRID 100890As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 117449 reaction equation
HRID 117449As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 417340 reaction equation
HRID 417340As productuspto-grants-2012_01
HRID 417341 reaction equation
HRID 417341As reactantuspto-grants-2012_01

Compound notes

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