1-(2-(2,4-Dichloro-6-methylphenoxy)ethyl)pyrrolidine
Basic information
- CAS
420102-59-6- Standard SMILES
Cc1cc(Cl)cc(Cl)c1OCCN1CCCC1- InChIKey
BOBFSPSKINMQGD-UHFFFAOYSA-N- Molecular formula
- C13H17Cl2NO
- Average molar mass
- 274.18 g/mol
- Monoisotopic mass
- 273.0687196
Names & identifiers
- Preferred name
- 1-(2-(2,4-Dichloro-6-methylphenoxy)ethyl)pyrrolidine
- IUPAC
- 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine
Names & synonyms
1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine420102-59-61-(2-(2,4-Dichloro-6-methylphenoxy)ethyl)pyrrolidineRefChem:223021Oprea1_578441MLS001163423CHEMBL1719877DTXSID701220608HMS2833B06UPCMLD0ENAT5772803:001SMR000496734Pyrrolidine, 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-
Database identifiers
- CAS
420102-59-6- PubChem CID
- 869435
- DTXSID
DTXSID701220608- ChEMBL
CHEMBL1719877
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Solubility30.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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