2-Propanol, 1-(tert-butylamino)-3-(5-methyl-3-thienyloxy)-
Basic information
- CAS
86525-75-9- Standard SMILES
Cc1cc(OCC(O)CNC(C)(C)C)cs1- InChIKey
XWIZUVFVHLEVLD-UHFFFAOYSA-N- Molecular formula
- C12H21NO2S
- Average molar mass
- 243.37 g/mol
- Monoisotopic mass
- 243.12930009
Names & identifiers
- Preferred name
- 2-Propanol, 1-(tert-butylamino)-3-(5-methyl-3-thienyloxy)-
- IUPAC
- 1-(tert-butylamino)-3-(5-methylthiophen-3-yl)oxypropan-2-ol
- English name
- 1-(tert-Butylamino)-3-(5-methyl-3-thienyloxy)-2-propanol
- Molecular formula
- C12H21NO2S
- Molecular weight
- 243.37
Names & synonyms
1-(tert-Butylamino)-3-(5-methyl-3-thienyloxy)-2-propanol86525-75-9BRN 49943482-Propanol, 1-(tert-butylamino)-3-(5-methyl-3-thienyloxy)-2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((5-methyl-3-thienyl)oxy)-RefChem:265898DTXSID6010068911-(TERT-BUTYLAMINO)-3-[(5-METHYLTHIOPHEN-3-YL)OXY]PROPAN-2-OL2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(5-methyl-3-thienyl)oxy]-
Database identifiers
- CAS
86525-75-9- PubChem CID
- 3070516
- DTXSID
DTXSID601006891- Nikkaji
- J69.764H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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