Basic information
- CAS
27674-50-6- Standard SMILES
CC(C)CCOCC(CN1CCCC1)C(O)(c1ccccc1)c1ccccc1.Cl- InChIKey
MWUKYCSEBRWCLK-UHFFFAOYSA-N- Molecular formula
- C25H36ClNO2
- Average molar mass
- 418 g/mol
- Monoisotopic mass
- 417.2434571
Names & identifiers
- Preferred name
- 1-Pyrrolidinepropanol, alpha,alpha-diphenyl-beta-((isopentyloxy)methyl)-, hydrochloride
- IUPAC
- 2-(3-methylbutoxymethyl)-1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
Names & synonyms
27674-50-61-Pyrrolidinepropanol, alpha,alpha-diphenyl-beta-((isopentyloxy)methyl)-, hydrochloride1-Pyrrolidinepropanol, alpha,alpha-diphenyl-beta-((3-methylbutoxy)methyl)-, hydrochloridealpha,alpha-Diphenyl-beta-((isopentyloxy)methyl)-1-pyrrolidinepropanol hydrochlorideRefChem:235275DTXSID309503222-[(3-Methylbutoxy)methyl]-1,1-diphenyl-3-(pyrrolidin-1-yl)propan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
27674-50-6- PubChem CID
- 214068
- DTXSID
DTXSID30950322
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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