Ethanol, 2-[(5-tert-butyl-3-chloro-2-hydroxybenzyl)amino]-
Basic information
- CAS
5414-70-0- Standard SMILES
CC(C)(C)c1cc(Cl)c(O)c(CNCCO)c1- InChIKey
FOJIEXPSXCEXKD-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO2
- Average molar mass
- 257.75 g/mol
- Monoisotopic mass
- 257.1182566
Names & identifiers
- Preferred name
- Ethanol, 2-[(5-tert-butyl-3-chloro-2-hydroxybenzyl)amino]-
- IUPAC
- 4-tert-butyl-2-chloro-6-[(2-hydroxyethylamino)methyl]phenol
Names & synonyms
Ethanol, 2-[(5-tert-butyl-3-chloro-2-hydroxybenzyl)amino]-5414-70-0NSC10609Ethanol, 2-[(5-tert-butyl-3-chlorosalicyl)amino]-DTXSID50278914NSC-106094-tert-butyl-2-chloro-6-{[(2-hydroxyethyl)amino]methyl}phenol
Database identifiers
- CAS
5414-70-0- PubChem CID
- 223205
- DTXSID
DTXSID50278914
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
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Compound notes
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