Basic information
- Standard SMILES
CCOC(=O)Cc1cccc(Nc2cccc(N)c2)c1N- InChIKey
HZLDXDJMJCRSMU-UHFFFAOYSA-N- Molecular formula
- C16H19N3O2
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.14772686
Names & identifiers
- Preferred name
- [2-Amino-3-(3-amino-phenylamino)-phenyl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[2-amino-3-(3-aminoanilino)phenyl]acetate
Names & synonyms
SCHEMBL396493HZLDXDJMJCRSMU-UHFFFAOYSA-N[2-amino-3-(3-amino-phenylamino)-phenyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 59804307
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Related reactions
3 records
Compound notes
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