methyl 2-[2-amino-N-[3-(dimethylamino)propyl]anilino]benzoate
Basic information
- CAS
13450-59-4- Standard SMILES
COC(=O)c1ccccc1N(CCCN(C)C)c1ccccc1N- InChIKey
UHHNZYAOVLIOEB-UHFFFAOYSA-N- Molecular formula
- C19H25N3O2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.19467705
Names & identifiers
- Preferred name
- methyl 2-[2-amino-N-[3-(dimethylamino)propyl]anilino]benzoate
- IUPAC
- methyl 2-[2-amino-N-[3-(dimethylamino)propyl]anilino]benzoate
- English name
- 2-[(2-Aminophenyl)[3-(dimethylamino)propyl]amino]benzoic acid methyl ester
- Molecular formula
- C19H25N3O2
- Molecular weight
- 327.42
Names & synonyms
methyl 2-[2-amino-N-[3-(dimethylamino)propyl]anilino]benzoate13450-59-4Benzoic acid, 2-[(2-aminophenyl)[3-(dimethylamino)propyl]amino]-, methyl esterAnthranilic acid, N-(o-aminophenyl)-N-[3-(dimethylamino)propyl]-, methyl esterMethyl 2-[(2-aminophenyl)[3-(dimethylamino)propyl]amino]benzoateMethyl 2-{(2-aminophenyl)[3-(dimethylamino)propyl]amino}benzoateUHHNZYAOVLIOEB-UHFFFAOYSA-N2-[(2-Aminophenyl)[3-(dimethylamino)propyl]amino]benzoic acid methyl ester2YG29N92NCDTXSID70348067Methyl 2-(2-amino[3-(dimethylamino)propyl]anilino)benzoate #Methyl N-(o-aminophenyl)-N-(3-dimethylaminopropyl)anthranilate
Database identifiers
- CAS
13450-59-4- PubChem CID
- 629892
- DTXSID
DTXSID70348067- UNII
- 2YG29N92NC
- Nikkaji
- J104.887B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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