Basic information
- Standard SMILES
CC1(Oc2cc(Br)ccc2OCc2cccc(Cl)c2)CNC1- InChIKey
UREMTXLAZAZRHK-UHFFFAOYSA-N- Molecular formula
- C17H17BrClNO2
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 381.01312
Names & identifiers
- Preferred name
- 3-[5-Bromo-2-(3-chloro-benzyloxy)-phenoxy]-3-methyl-azetidine
- IUPAC
- 3-[5-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]-3-methylazetidine
Names & synonyms
3-[5-Bromo-2-(3-chloro-benzyloxy)-phenoxy]-3-methyl-azetidineSCHEMBL2285332CHEMBL5871010UREMTXLAZAZRHK-UHFFFAOYSA-NBDBM396587US9981909, Example 212
Database identifiers
- PubChem CID
- 46214971
- ChEMBL
CHEMBL5871010
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
1 records
Compound notes
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