Basic information
- CAS
52582-99-7- Standard SMILES
CNCCC12CC3CC(CC(C3)C1c1ccccc1)C2.Cl- InChIKey
NWEOHFSKEFZFOY-UHFFFAOYSA-N- Molecular formula
- C19H28ClN
- Average molar mass
- 305.9 g/mol
- Monoisotopic mass
- 305.1910276
Names & identifiers
- Preferred name
- N-Methyl-2-(2-phenyladamantan-1-yl)ethan-1-amine--hydrogen chloride (1/1)
- IUPAC
- N-methyl-2-(2-phenyl-1-adamantyl)ethanamine;hydrochloride
Names & synonyms
52582-99-7DTXSID70967010N-Methyl-2-(2-phenyladamantan-1-yl)ethan-1-amine--hydrogen chloride (1/1)RefChem:1091875DTXCID201394620ADAMANTANE, 1-(2-METHYLAMINOETHYL)-2-PHENYL-, HYDROCHLORIDEEthylamine, N-methyl-2-(2-phenyl-1-adamantyl)-, hydrochloride
Database identifiers
- CAS
52582-99-7- PubChem CID
- 40438
- DTXSID
DTXSID70967010
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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