3-(3-Ethoxyphenyl)pyrrolidine
Basic information
- CAS
1082881-60-4- Standard SMILES
CCOc1cccc(C2CCNC2)c1- InChIKey
FXADNCSEGSPDAP-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 3-(3-Ethoxyphenyl)pyrrolidine
- IUPAC
- 3-(3-ethoxyphenyl)pyrrolidine
Names & synonyms
3-(3-ethoxyphenyl)pyrrolidine1082881-60-4DTXSID901301892Pyrrolidine, 3-(3-ethoxyphenyl)-AKOS011342063CS-0299356EN300-1670016A1-138593
Database identifiers
- CAS
1082881-60-4- PubChem CID
- 62064360
- DTXSID
DTXSID901301892
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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