Basic information
- CAS
85128-21-8- Standard SMILES
C=C(c1cc(C)cc(C)c1OCC(O)CNC(C)(C)C)n1ccnc1- InChIKey
SOHQLNWCVGOCAY-UHFFFAOYSA-N- Molecular formula
- C20H29N3O2
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.22597718
Names & identifiers
- Preferred name
- 2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
- IUPAC
- 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]propan-2-ol
Names & synonyms
BRN 55892603-(tert-Butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol85128-21-82-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-RefChem:265976CHEMBL15454DTXSID5010055451-(tert-Butylamino)-3-{2-[1-(1H-imidazol-1-yl)ethenyl]-4,6-dimethylphenoxy}propan-2-ol1-(tert-Butylamino)-3-{2-[1-(1H-imidazol-1-yl)ethen-1-yl]-4,6-dimethylphenoxy}propan-2-ol
Database identifiers
- CAS
85128-21-8- PubChem CID
- 3069780
- DTXSID
DTXSID501005545- ChEMBL
CHEMBL15454
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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