5-Bromo-2-(2-morpholinoethylamino)benzonitrile

HCID 18367607
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Basic information

Standard SMILES
N#Cc1cc(Br)ccc1NCCN1CCOCC1
InChIKey
JNMVCQVRHLHGAT-UHFFFAOYSA-N
Molecular formula
C13H16BrN3O
Average molar mass
310.19 g/mol
Monoisotopic mass
309.04767

Names & identifiers

Preferred name
5-Bromo-2-(2-morpholinoethylamino)benzonitrile
IUPAC
5-bromo-2-(2-morpholin-4-ylethylamino)benzonitrile

Names & synonyms

214210-02-35-bromo-2-(2-morpholinoethylamino)benzonitrile5-bromo-2-(2-morpholin-4-yl-ethylamino)benzonitrileSCHEMBL1858932JNMVCQVRHLHGAT-UHFFFAOYSA-NAKOS017498256DA-08214

Database identifiers

PubChem CID
18367607

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
48.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

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