2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-
PubChem CID: 203685
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| Compound Synonyms | (+)-Alprenolol, D-ALPRENOLOL, 23846-72-2, Alprenolol, (R)-, 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-, CHEMBL1395661, (2R)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol, 4146VEC819, 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-, (R)-, (R)-alprenolol, (D)-(+)-Alprenolol, Lopac-A-8676, (R)-(+)-ALPRENOLOL, SCHEMBL4538381, UNII-4146VEC819, BDBM50518972, PDSP1_000563, PDSP2_000561, NCGC00015099-01, NCGC00015099-02, NCGC00015099-07, NCGC00016704-01, PD132994, CAS-13707-88-5, Q27258388, 2-PROPANOL, 1-(O-ALLYLPHENOXY)-3-(ISOPROPYLAMINO)-, D-, (R)-1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-2-propanol, 2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(2-PROPEN-1-YL)PHENOXY)-, (2R)- |
|---|---|
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 231.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P19838, P16473, P08482, P10635, Q92830, O15296, P05177, P07550, P08588 |
| Iupac Name | (2R)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol |
| Prediction Hob | 0.0 |
| Target Id | NPT163, NPT210, NPT110, NPT208, NPT226, NPT225 |
| Xlogp | 3.1 |
| Molecular Formula | C15H23NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PAZJSJFMUHDSTF-CQSZACIVSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -2.843 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.655 |
| Compound Name | 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 249.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 249.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 249.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0576614666666666 |
| Inchi | InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m1/s1 |
| Smiles | CC(C)NC[C@H](COC1=CC=CC=C1CC=C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all