Basic information
- Standard SMILES
CNc1ccc(Oc2ccc(N)cc2C)cc1N- InChIKey
SFRDTPDOVPJUMB-UHFFFAOYSA-N- Molecular formula
- C14H17N3O
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.13716217
Names & identifiers
- Preferred name
- 4-(4-amino-2-methylphenoxy)-N1-methylbenzene-1,2-diamine
- IUPAC
- 4-(4-amino-2-methylphenoxy)-1-N-methylbenzene-1,2-diamine
Names & synonyms
SCHEMBL1192697SFRDTPDOVPJUMB-UHFFFAOYSA-N4-(4-amino-2-methylphenoxy)-N1-methylbenzene-1,2-diamine
Database identifiers
- PubChem CID
- 66937192
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
2 records
Compound notes
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