Basic information
- Standard SMILES
CCC(CC)Nc1ccc(C(=O)OC)cc1N- InChIKey
ADEGGSDEYFUBJH-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
Names & identifiers
- Preferred name
- Methyl 3-amino-4-(pentan-3-ylamino)benzoate
- IUPAC
- methyl 3-amino-4-(pentan-3-ylamino)benzoate
Names & synonyms
METHYL 3-AMINO-4-(PENTAN-3-YLAMINO)BENZOATE762295-23-8methyl 3-amino-4-[(pentan-3-yl)amino]benzoateSCHEMBL15618544ADEGGSDEYFUBJH-UHFFFAOYSA-NAKOS010565555DB-431032CS-0342936G82488F7378243-Amino-4-(1-ethyl-propylamino)-benzoic acid methyl esterBenzoic acid, 3-amino-4-[(1-ethylpropyl)amino]-, methyl ester
Database identifiers
- PubChem CID
- 61311526
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Related reactions
8 records
Compound notes
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