Basic information
- Standard SMILES
COC(=O)CCCCCOc1ccc(N)cc1- InChIKey
XDJLGMFYGWUTAI-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
Names & identifiers
- Preferred name
- 6-(4-Aminophenoxy)-hexanoic acid methyl ester
- IUPAC
- methyl 6-(4-aminophenoxy)hexanoate
Names & synonyms
SCHEMBL831000XDJLGMFYGWUTAI-UHFFFAOYSA-N6-(4-aminophenoxy)-hexanoic acid methyl ester6-(4-Amino-phenoxy)-hexanoic acid methyl ester
Database identifiers
- PubChem CID
- 14650296
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 213
Related reactions
22 records
Compound notes
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