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5-Chloro-2-methylamino-4-morpholin-4-yl-aniline

HCID 67957652
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNc1cc(N2CCOCC2)c(Cl)cc1N
InChIKey
GXHVQWHPLMQCKC-UHFFFAOYSA-N
Molecular formula
C11H16ClN3O
Average molar mass
241.72 g/mol

Names & identifiers

Preferred name
5-Chloro-2-methylamino-4-morpholin-4-yl-aniline
IUPAC
4-chloro-1-N-methyl-5-morpholin-4-ylbenzene-1,2-diamine

Names & synonyms

5-Chloro-2-methylamino-4-morpholin-4-yl-anilineSCHEMBL9899360GXHVQWHPLMQCKC-UHFFFAOYSA-N

Database identifiers

PubChem CID
67957652

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
50.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
223

Related reactions

2 records
New reaction record
HRID 694763 reaction equation
HRID 694763As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1258670 reaction equation
HRID 1258670As productuspto-grants-2013_06

Compound notes

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