3,5-Dibromo-4-(2-(dimethylamino)ethoxy)benzenamine

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Basic information

CAS: 15592-73-1
Standard SMILES: CN(C)CCOc1c(Br)cc(N)cc1Br
InChIKey: MVFLWWXESBADPF-UHFFFAOYSA-N
Molecular formula: C10H14Br2N2O
Average molar mass: 338.04 g/mol
Monoisotopic mass: 335.94729

Names & identifiers

Preferred name: 3,5-Dibromo-4-(2-(dimethylamino)ethoxy)benzenamine
IUPAC: 3,5-dibromo-4-[2-(dimethylamino)ethoxy]aniline

Names & synonyms

PM-33 free base1FUF9E4WX9UNII-1FUF9E4WX93,5-Dibromo-4-(2-(dimethylamino)ethoxy)benzenamine15592-73-1Benzenamine, 3,5-dibromo-4-(2-(dimethylamino)ethoxy)-beta-(Dimethylamino)-3,5-dibromo-p-phenetidineSCHEMBL11448408AKOS005066128.BETA.-(DIMETHYLAMINO)-3,5-DIBROMO-P-PHENETIDINE

Database identifiers

CAS: 15592-73-1
PubChem CID: 31026
UNII: 1FUF9E4WX9

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 38.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 180

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Compound notes

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