2-Propanol, 1-(2,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-
Basic information
- CAS
85128-20-7- Standard SMILES
C=C(c1c(C)ccc(C)c1OCC(O)CNC(C)C)n1ccnc1- InChIKey
CYUHKBWENYTWOZ-UHFFFAOYSA-N- Molecular formula
- C19H27N3O2
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.21032711
Names & identifiers
- Preferred name
- 2-Propanol, 1-(2,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-
- IUPAC
- 1-[2-(1-imidazol-1-ylethenyl)-3,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol
Names & synonyms
BRN 55968601-(2,5-Dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-2-propanol85128-20-72-Propanol, 1-(2,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-RefChem:265707CHEMBL279551DTXSID8010055441-{2-[1-(1H-Imidazol-1-yl)ethen-1-yl]-3,6-dimethylphenoxy}-3-[(propan-2-yl)amino]propan-2-ol1-{2-[1-(1H-Imidazol-1-yl)ethenyl]-3,6-dimethylphenoxy}-3-[(propan-2-yl)amino]propan-2-ol
Database identifiers
- CAS
85128-20-7- PubChem CID
- 3069779
- DTXSID
DTXSID801005544- ChEMBL
CHEMBL279551
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 402
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