2-Chloro-4,6-bis((dimethylamino)methyl)phenol
Basic information
- CAS
86888-14-4- Standard SMILES
CN(C)Cc1cc(Cl)c(O)c(CN(C)C)c1- InChIKey
XITXAAZUAPOOOW-UHFFFAOYSA-N- Molecular formula
- C12H19ClN2O
- Average molar mass
- 242.74 g/mol
- Monoisotopic mass
- 242.1185909
Names & identifiers
- Preferred name
- 2-Chloro-4,6-bis((dimethylamino)methyl)phenol
- IUPAC
- 2-chloro-4,6-bis[(dimethylamino)methyl]phenol
Names & synonyms
NSC3918786888-14-42-chloro-4,6-bis((dimethylamino)methyl)phenolNSC-391872-chloro-4,6-bis[(dimethylamino)methyl]phenolNCIStruc1_000345NCIStruc2_000452CHEMBL1741911DTXSID80284826NCI39187CCG-37940NCGC00013454
Show more names
NCGC00013454-02NCGC00096569-01NCI60_003702
Database identifiers
- CAS
86888-14-4- PubChem CID
- 236579
- DTXSID
DTXSID80284826- ChEMBL
CHEMBL1741911
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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