2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol
Basic information
- CAS
6936-44-3- Standard SMILES
CC(C)c1cc(CN(C)C)c(O)c(C(C)(C)C)c1- InChIKey
GVUNWVGYJROCEX-UHFFFAOYSA-N- Molecular formula
- C16H27NO
- Average molar mass
- 249.39 g/mol
- Monoisotopic mass
- 249.20926449
Names & identifiers
- Preferred name
- 2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol
- IUPAC
- 2-tert-butyl-6-[(dimethylamino)methyl]-4-propan-2-ylphenol
Names & synonyms
NSC215186936-44-3NSC-215182-tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenolNCIStruc1_000528NCIStruc2_000611CHEMBL1437281SCHEMBL13038115DTXSID60281398NCI21518CCG-38110NCGC00013276
Show more names
NCGC00013276-02NCGC00096395-01NCI60_0017962-tert-Butyl-6-[(dimethylamino)methyl]-4-(propan-2-yl)phenol
Database identifiers
- CAS
6936-44-3- PubChem CID
- 228534
- DTXSID
DTXSID60281398- ChEMBL
CHEMBL1437281
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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