Basic information
- Standard SMILES
CC(C)(C)c1cc(O)c(CN)c(C(C)(C)C)c1.Cl- InChIKey
QGKYJXDBHPYJCN-UHFFFAOYSA-N- Molecular formula
- C15H26ClNO
- Average molar mass
- 271.82 g/mol
- Monoisotopic mass
- 271.1702921
Names & identifiers
- Preferred name
- 2-(Aminomethyl)-3,5-di-tert-butylphenol hydrochloride
- IUPAC
- 2-(aminomethyl)-3,5-ditert-butylphenol;hydrochloride
Names & synonyms
2-(Aminomethyl)-3,5-di-tert-butylphenol hydrochlorideCHEMBL543048SCHEMBL3624760QGKYJXDBHPYJCN-UHFFFAOYSA-NDB-14841051571-04-1
Database identifiers
- PubChem CID
- 45259771
- ChEMBL
CHEMBL543048
Properties
Computed structural properties
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Related reactions
8 records
Compound notes
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