Basic information
- Standard SMILES
CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1- InChIKey
LMASLKDDKPUJIF-IMJJTQAJSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
Names & identifiers
- Preferred name
- (1R,2S)-Ethyl 2-((S)-1-phenylethylamino)cyclohexanecarboxylate
- IUPAC
- cis-ethyl (1R,2S)-2-[[(1S)-1-phenylethyl]amino]cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL990514LMASLKDDKPUJIF-IMJJTQAJSA-N(1R,2S)-Ethyl 2-((S)-1-phenylethylamino)cyclohexanecarboxylate
Database identifiers
- PubChem CID
- 11065663
- Nikkaji
- J849.464I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
Related reactions
4 records
Compound notes
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