Basic information
- Standard SMILES
CCC(COC(=O)c1ccccc1)NC(C)C- InChIKey
NCISLVIYBANXGH-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 2-(Propan-2-ylamino)butyl benzoate
- IUPAC
- 2-(propan-2-ylamino)butyl benzoate
Names & synonyms
2-(propan-2-ylamino)butyl benzoateDTXSID601384457
Database identifiers
- PubChem CID
- 48987
- DTXSID
DTXSID601384457
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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