2-Amino-5-[(2-cyanophenyl)(methyl)amino]-3-methylbenzoic acid
Basic information
- CAS
1501506-60-0- Standard SMILES
Cc1cc(N(C)c2ccccc2C#N)cc(C(=O)O)c1N- InChIKey
LYRVYJBRVAEFTR-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- 2-Amino-5-[(2-cyanophenyl)(methyl)amino]-3-methylbenzoic acid
- IUPAC
- 2-amino-5-(2-cyano-N-methylanilino)-3-methylbenzoic acid
Names & synonyms
DTXSID701178865AKOS0189748882-Amino-5-[(2-cyanophenyl)(methyl)amino]-3-methylbenzoic acidBenzoic acid, 2-amino-5-[(2-cyanophenyl)methylamino]-3-methyl-1501506-60-0
Database identifiers
- CAS
1501506-60-0- PubChem CID
- 80411675
- DTXSID
DTXSID701178865
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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