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2-Benzyloxy-3-methoxy-5-methylaniline

HCID 13596188
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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

SCHEMBL11073637PYXMIACNTYLQIK-UHFFFAOYSA-N2-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
New reaction record
HRID 97287 reaction equation
HRID 97287As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 325732 reaction equation
HRID 325732As reactantuspto-grants-1984_04

Compound notes

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