4-Tert-butyl-2-{[(2-hydroxyethyl)amino]methyl}phenol
Basic information
- CAS
5414-71-1- Standard SMILES
CC(C)(C)c1ccc(O)c(CNCCO)c1- InChIKey
VZRUUURGBKLZGH-UHFFFAOYSA-N- Molecular formula
- C13H21NO2
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.15722891
Names & identifiers
- Preferred name
- 4-Tert-butyl-2-{[(2-hydroxyethyl)amino]methyl}phenol
- IUPAC
- 4-tert-butyl-2-[(2-hydroxyethylamino)methyl]phenol
Names & synonyms
5414-71-14-tert-butyl-2-{[(2-hydroxyethyl)amino]methyl}phenolNSC10610Ethanol, 2-[(5-tert-butylsalicyl)amino]-DTXSID10278915NSC-10610Ethanol,5-[(tert-butyl-2-hydroxybenzyl)amino]-
Database identifiers
- CAS
5414-71-1- PubChem CID
- 223206
- DTXSID
DTXSID10278915
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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