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4-(4-Bromo-2-ethyl-benzyl)-morpholine

HCID 58764207
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1cc(Br)ccc1CN1CCOCC1
InChIKey
TVENLHZEPPOZOS-UHFFFAOYSA-N
Molecular formula
C13H18BrNO
Average molar mass
284.19 g/mol

Names & identifiers

Preferred name
4-(4-Bromo-2-ethyl-benzyl)-morpholine
IUPAC
4-[(4-bromo-2-ethylphenyl)methyl]morpholine

Names & synonyms

SCHEMBL4468135TVENLHZEPPOZOS-UHFFFAOYSA-N4-(4-Bromo-2-ethyl-benzyl)-morpholine

Database identifiers

PubChem CID
58764207

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
206

Related reactions

4 records
New reaction record
HRID 669298 reaction equation
HRID 669298As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 859684 reaction equation
HRID 859684As productuspto-grants-2006_12
HRID 1438268 reaction equation
HRID 1438268As productuspto-grants-2009_11
HRID 2387075 reaction equation
HRID 2387075As productuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes