Basic information
- Standard SMILES
Brc1cccc(NCC2CCOCC2)c1- InChIKey
FBQGOOPQRSUFLI-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO
- Average molar mass
- 270.17 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-N-[(oxan-4-yl)methyl]aniline
- IUPAC
- 3-bromo-N-(oxan-4-ylmethyl)aniline
Names & synonyms
3-Bromo-N-[(oxan-4-yl)methyl]aniline1285238-15-43-bromo-N-(oxan-4-ylmethyl)aniline3-Bromo-N-((tetrahydro-2h-pyran-4-yl)methyl)anilineAKOS011671497CS-02658933-bromo-N-(tetrahydropyran-4-ylmethyl)anilineEN300-169685A1-23921
Database identifiers
- PubChem CID
- 62384753
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Related reactions
1 records
Compound notes
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