(2S)-2-{[(4-Chlorophenyl)methyl]amino}-4-methylpentan-1-ol
Basic information
- CAS
834883-71-5- Standard SMILES
CC(C)C[C@@H](CO)NCc1ccc(Cl)cc1- InChIKey
XVVAPWJQUGXWCD-ZDUSSCGKSA-N- Molecular formula
- C13H20ClNO
- Average molar mass
- 241.76 g/mol
- Monoisotopic mass
- 241.123342
Names & identifiers
- Preferred name
- (2S)-2-{[(4-Chlorophenyl)methyl]amino}-4-methylpentan-1-ol
- IUPAC
- (2S)-2-[(4-chlorophenyl)methylamino]-4-methylpentan-1-ol
Names & synonyms
834883-71-5DTXSID70834733(2S)-2-{[(4-Chlorophenyl)methyl]amino}-4-methylpentan-1-ol
Database identifiers
- CAS
834883-71-5- PubChem CID
- 71415313
- DTXSID
DTXSID70834733
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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