1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol
Basic information
- CAS
3534-74-5- Standard SMILES
CN(Cc1cc(Br)cc(Br)c1O)Cc1c(O)ccc2ccccc12- InChIKey
MDGLBXLWXXWTIJ-UHFFFAOYSA-N- Molecular formula
- C19H17Br2NO2
- Average molar mass
- 451.2 g/mol
- Monoisotopic mass
- 448.9626
Names & identifiers
- Preferred name
- 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol
- IUPAC
- 1-[[(3,5-dibromo-2-hydroxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol
Names & synonyms
NSC888523534-74-5NSC-888521-(((3,5-dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphtholNCIStruc1_001365NCIStruc2_001698CHEMBL1318316SCHEMBL12786135DTXSID50293349NCI88852CCG-37312NCGC00013929
Show more names
1-({[(3,5-dibromo-2-hydroxyphenyl)methyl](methyl)amino}methyl)naphthalen-2-olNCGC00013929-02NCGC00097038-01NCI60_041968
Database identifiers
- CAS
3534-74-5- PubChem CID
- 259176
- DTXSID
DTXSID50293349- ChEMBL
CHEMBL1318316- Nikkaji
- J1.228.581G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
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Related reactions
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Compound notes
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