Basic information
- Standard SMILES
CC(C)CC(=O)NCCc1ccccc1CO- InChIKey
BNKWLCYGIAXWEV-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 1-Isovalerylamino-2-(2-hydroxymethylphenyl)ethane
- IUPAC
- N-[2-[2-(hydroxymethyl)phenyl]ethyl]-3-methylbutanamide
Names & synonyms
SCHEMBL11270596BNKWLCYGIAXWEV-UHFFFAOYSA-N1-isovalerylamino-2-(2-hydroxymethylphenyl)ethane
Database identifiers
- PubChem CID
- 20533962
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 228
Related reactions
2 records
Compound notes
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