1-(2-Methylphenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
Basic information
- CAS
5296-07-1- Standard SMILES
Cc1ccccc1OCC(O)CN1CCCC1- InChIKey
PSWMWCDHWLNZGJ-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 1-(2-Methylphenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
- IUPAC
- 1-(2-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
Names & synonyms
5296-07-11-(2-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol1-(2-methylphenoxy)-3-(pyrrolidin-1-yl)propan-2-olNSC89437NCIOpen2_005623DTXSID90293424NSC-89437AKOS002202691AKOS016307275ST501396653-(2-methylphenoxy)-1-pyrrolidinylpropan-2-olZ31369969
Database identifiers
- CAS
5296-07-1- PubChem CID
- 259476
- DTXSID
DTXSID90293424
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
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Compound notes
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