(1S)-1-[4-(4,4-Dimethylazepan-1-yl)phenyl]ethan-1-amine
Basic information
- CAS
1391577-98-2- Standard SMILES
C[C@H](N)c1ccc(N2CCCC(C)(C)CC2)cc1- InChIKey
CNNOSJNIHYMOSS-ZDUSSCGKSA-N- Molecular formula
- C16H26N2
- Average molar mass
- 246.39 g/mol
- Monoisotopic mass
- 246.20959884
Names & identifiers
- Preferred name
- (1S)-1-[4-(4,4-Dimethylazepan-1-yl)phenyl]ethan-1-amine
- IUPAC
- (1S)-1-[4-(4,4-dimethylazepan-1-yl)phenyl]ethanamine
Names & synonyms
DTXSID001138608AKOS017526561(1S)-1-[4-(4,4-Dimethylazepan-1-yl)phenyl]ethan-1-amineBenzenemethanamine, 4-(hexahydro-4,4-dimethyl-1H-azepin-1-yl)-I+/--methyl-, (I+/-S)-1391577-98-2
Database identifiers
- CAS
1391577-98-2- PubChem CID
- 79005172
- DTXSID
DTXSID001138608
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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