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2-(1-(Benzyloxyamino)ethyl)benzo[b]thiophene

HCID 19935888
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(NOCc1ccccc1)c1cc2ccccc2s1
InChIKey
ZRKXTSOIPUXMMA-UHFFFAOYSA-N
Molecular formula
C17H17NOS
Average molar mass
283.4 g/mol

Names & identifiers

Preferred name
2-(1-(Benzyloxyamino)ethyl)benzo[b]thiophene
IUPAC
1-(1-benzothiophen-2-yl)-N-phenylmethoxyethanamine

Names & synonyms

SCHEMBL8777424ZRKXTSOIPUXMMA-UHFFFAOYSA-N2-(1-(benzyloxyamino)ethyl)benzo[b]thiophene

Database identifiers

PubChem CID
19935888

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
49.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
293

Related reactions

2 records
New reaction record
HRID 37515 reaction equation
HRID 37515As productuspto-grants-1995_05
HRID 101342 reaction equation
HRID 101342As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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