2,6-Dimethoxy-4-methylaniline

HCID 12409090

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(C)cc(OC)c1N
InChIKey: YUGQNPCMWGEPBQ-UHFFFAOYSA-N
Molecular formula: C9H13NO2
Average molar mass: 167.2 g/mol

Names & identifiers

Preferred name: 2,6-Dimethoxy-4-methylaniline
IUPAC: 2,6-dimethoxy-4-methylaniline

Names & synonyms

2,6-Dimethoxy-4-methylaniline54812-41-8SCHEMBL3549185SCHEMBL50283182,6-dimethoxy-4-methyl-anilineYUGQNPCMWGEPBQ-UHFFFAOYSA-NCS-0416272EN300-1840186

Database identifiers

PubChem CID: 12409090
Nikkaji: J1.327.634J

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 126

Related reactions

7 records

New reaction record

HRID 2917As reactantuspto-grants-1998_03

HRID 2920As reactantuspto-grants-1998_03

HRID 2922As reactantuspto-grants-1998_03

HRID 169355As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 199809As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 667505As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2126557As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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