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4-Fluoro-5-(3-methoxypropoxy)benzene-1,2-diamine

HCID 67360548
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COCCCOc1cc(N)c(N)cc1F
InChIKey
OLKLHBUDYARBQE-UHFFFAOYSA-N
Molecular formula
C10H15FN2O2
Average molar mass
214.24 g/mol
Monoisotopic mass
214.11175589

Names & identifiers

Preferred name
4-Fluoro-5-(3-methoxypropoxy)benzene-1,2-diamine
IUPAC
4-fluoro-5-(3-methoxypropoxy)benzene-1,2-diamine

Names & synonyms

SCHEMBL2314552OLKLHBUDYARBQE-UHFFFAOYSA-N4-fluoro-5-(3-methoxypropoxy)benzene-1,2-diamine

Database identifiers

PubChem CID
67360548

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
70.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
183

Related reactions

2 records
New reaction record
HRID 286178 reaction equation
HRID 286178As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2243376 reaction equation
HRID 2243376As productuspto-grants-2010_03

Compound notes

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