(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine
Basic information
- CAS
1228569-27-4- Standard SMILES
COc1ccc([C@H]2CCCN2)c(OC)c1- InChIKey
RMQJFYAFGGOKQJ-LLVKDONJSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- (2R)-2-(2,4-dimethoxyphenyl)pyrrolidine
- IUPAC
- (2R)-2-(2,4-dimethoxyphenyl)pyrrolidine
- English name
- 1-((2R)Pyrrolidin-2-yl)-2,4-dimethoxybenzene
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
1228569-27-4(R)-2-(2,4-Dimethoxyphenyl)pyrrolidine(2R)-2-(2,4-dimethoxyphenyl)pyrrolidineDTXSID901278841AKOS0159339551-((2R)Pyrrolidin-2-yl)-2,4-dimethoxybenzenePyrrolidine, 2-(2,4-dimethoxyphenyl)-, (2R)-
Database identifiers
- CAS
1228569-27-4- PubChem CID
- 7129614
- DTXSID
DTXSID901278841
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 315.8 · 315.8±42.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- pka
- 9.73 · 9.73±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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