Basic information
- CAS
93811-58-6- Standard SMILES
CCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
WQNYIWJBDGLKEB-UHFFFAOYSA-N- Molecular formula
- C17H29NO
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.22491455
Overview
structure given in first source; LY 231617 is the HCl salt; RN given refers to the parent compound
Names & identifiers
- Preferred name
- LY 231617
- IUPAC
- 2,6-ditert-butyl-4-(ethylaminomethyl)phenol
Names & synonyms
93811-58-6LY-231617DTXSID20239714RefChem:154498DTXCID70162205LY 231617LY2316172,6-ditert-butyl-4-(ethylaminomethyl)phenolp-Cresol, 2,6-di-tert-butyl-alpha-(ethylamino)-2,6-Di-tert-butyl-4-[(ethylamino)methyl]phenol2,6-Bis(1,1-dimethylethyl)-4-(((1-ethyl)amino)methyl)phenol2,6-di-Tert-butyl-alpha-(ethylamino)-p-cresol
Show more names
CHEMBL96606orb3174543SCHEMBL6660623AKOS009007031BRD-K85804405-003-01-3
Database identifiers
- CAS
93811-58-6- PubChem CID
- 3968
- DTXSID
DTXSID20239714- ChEMBL
CHEMBL96606- Nikkaji
- J664.754E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…