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5-(2-Aminoethyl)-2-benzyloxyaniline (HCID 22165993)|Huagongshe
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Compound
5-(2-Aminoethyl)-2-benzyloxyaniline
HCID
22165993
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
NCCc1ccc(OCc2ccccc2)c(N)c1
InChIKey
PCIUVIFUPQAOOH-UHFFFAOYSA-N
Molecular formula
C15H18N2O
Average molar mass
242.32 g/mol
Names & identifiers
Preferred name
5-(2-Aminoethyl)-2-benzyloxyaniline
IUPAC
5-(2-aminoethyl)-2-phenylmethoxyaniline
Names & synonyms
SCHEMBL10409146
PCIUVIFUPQAOOH-UHFFFAOYSA-N
5-(2-aminoethyl)-2-benzyloxyaniline
Database identifiers
PubChem CID
22165993
Properties
Computed structural properties
XLogP
2
Topological polar surface area
61.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
229
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
680137
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
825505
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1032516
As product
uspto-grants-1990_09
HRID
2312093
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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