3-[1-(4-Bromophenyl)pyrrolidin-2-yl]propan-1-ol
Basic information
- CAS
89251-02-5- Standard SMILES
OCCCC1CCCN1c1ccc(Br)cc1- InChIKey
KCEBKMRWXJBSIM-UHFFFAOYSA-N- Molecular formula
- C13H18BrNO
- Average molar mass
- 284.19 g/mol
- Monoisotopic mass
- 283.05718
Names & identifiers
- Preferred name
- 3-[1-(4-Bromophenyl)pyrrolidin-2-yl]propan-1-ol
- IUPAC
- 3-[1-(4-bromophenyl)pyrrolidin-2-yl]propan-1-ol
Names & synonyms
89251-02-53-[1-(4-Bromophenyl)pyrrolidin-2-yl]propan-1-olDTXSID70545559
Database identifiers
- CAS
89251-02-5- PubChem CID
- 13636011
- DTXSID
DTXSID70545559
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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