Basic information
- Standard SMILES
COC(=O)CCCCCOc1ccc(N)c(Nc2ccccc2)c1- InChIKey
PQEHQNMCMORSJU-UHFFFAOYSA-N- Molecular formula
- C19H24N2O3
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- 6-(3-Phenylamino-4-aminophenyl)oxyhexanoic acid methyl ester
- IUPAC
- methyl 6-(4-amino-3-anilinophenoxy)hexanoate
Names & synonyms
SCHEMBL2330546PQEHQNMCMORSJU-UHFFFAOYSA-N6-(3-phenylamino-4-aminophenyl)oxyhexanoic acid methyl ester
Database identifiers
- PubChem CID
- 12043085
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 359
Related reactions
12 records
Compound notes
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