Basic information
- Standard SMILES
COc1cc(Br)c(N)c(CN2CCOCC2)c1- InChIKey
BVEFNZRNWUJBPB-UHFFFAOYSA-N- Molecular formula
- C12H17BrN2O2
- Average molar mass
- 301.18 g/mol
Names & identifiers
- Preferred name
- N-(2-Amino-3-bromo-5-methoxy-benzyl)-morpholine
- IUPAC
- 2-bromo-4-methoxy-6-(morpholin-4-ylmethyl)aniline
Names & synonyms
SCHEMBL11623753BVEFNZRNWUJBPB-UHFFFAOYSA-NN-(2-Amino-3-bromo-5-methoxy-benzyl)-morpholine
Database identifiers
- PubChem CID
- 20319084
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Related reactions
3 records
Compound notes
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