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Compound
2-Benzyloxy-3-methoxy-5-methylaniline
HCID
13596188
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Basic information
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Properties
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Basic information
Standard SMILES
COc1cc(C)cc(N)c1OCc1ccccc1
InChIKey
PYXMIACNTYLQIK-UHFFFAOYSA-N
Molecular formula
C15H17NO2
Average molar mass
243.3 g/mol
Monoisotopic mass
243.12592879
Names & identifiers
Preferred name
2-Benzyloxy-3-methoxy-5-methylaniline
IUPAC
3-methoxy-5-methyl-2-phenylmethoxyaniline
Names & synonyms
SCHEMBL11073637
PYXMIACNTYLQIK-UHFFFAOYSA-N
2-benzyloxy-3-methoxy-5-methylaniline
Database identifiers
PubChem CID
13596188
Properties
Computed structural properties
XLogP
3
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
241
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
97287
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
325732
As reactant
uspto-grants-1984_04
Compound notes
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