2-(Aminomethyl)-6-tert-butyl-4-methylphenol
Basic information
- CAS
91432-09-6- Standard SMILES
Cc1cc(CN)c(O)c(C(C)(C)C)c1- InChIKey
XJZIEJJSGHYMGU-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
- Monoisotopic mass
- 193.14666423
Names & identifiers
- Preferred name
- 2-(Aminomethyl)-6-tert-butyl-4-methylphenol
- IUPAC
- 2-(aminomethyl)-6-tert-butyl-4-methylphenol
Names & synonyms
91432-09-62-(aminomethyl)-6-tert-butyl-4-methylphenolDTXSID70505759RefChem:253130DTXCID00456568SCHEMBL8747636CHEMBL11941192-hydroxy-3-t-butyl-5-methylbenzylamineDB-1337772-(Aminomethyl)-6-(tert-butyl)-4-methylphenol
Database identifiers
- CAS
91432-09-6- PubChem CID
- 12652129
- DTXSID
DTXSID70505759- ChEMBL
CHEMBL1194119
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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