1.0 2016-09-30 22:47:14 UTC 2020-04-22 15:08:35 UTC BMDB0001529 BMDB01529 Fenpropimorph (S)-(-)-Fenpropimorph (S)-cis-Fenpropimorph (2R,6S)-4-[(2S)-3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine (S)-Fenpropimorph 4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine cis-4-[3-(4-Tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine cis-Fenpropimorph Fenpropimorph C20H33NO 303.49 303.256214687 (2R,6S)-4-[(2S)-2-[(4-tert-butylphenyl)methyl]propyl]-2,6-dimethylmorpholine power task 76492-90-5 C[C@H](CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m0/s1 RYAUSSKQMZRMAI-YESZJQIVSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Phenylpropanes Aralkylamines Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Morpholines Organopnictogen compounds Oxacyclic compounds Trialkylamines Amine Aralkylamine Aromatic heteromonocyclic compound Azacycle Dialkyl ether Ether Hydrocarbon derivative Morpholine Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane Phenylpropane Tertiary aliphatic amine Tertiary amine Aromatic heteromonocyclic compounds 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine Liquid logp 5.70 ALOGPS logs -5.19 ALOGPS logp 5.17 ChemAxon pka_strongest_basic 8.49 ChemAxon iupac (2R,6S)-4-[(2S)-2-[(4-tert-butylphenyl)methyl]propyl]-2,6-dimethylmorpholine ChemAxon average_mass 303.49 ChemAxon mono_mass 303.256214687 ChemAxon smiles C[C@H](CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C ChemAxon formula C20H33NO ChemAxon inchi InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m0/s1 ChemAxon inchikey RYAUSSKQMZRMAI-YESZJQIVSA-N ChemAxon polar_surface_area 12.47 ChemAxon refractivity 95.01 ChemAxon polarizability 38.15 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 130613 Specdb::CMs 138347 Specdb::MsMs 2753014 Specdb::MsMs 2753015 Specdb::MsMs 2753016 Specdb::MsMs 2951949 Specdb::MsMs 2951950 Specdb::MsMs 2951951 FDB016288 10008267 11833620 50146 Fenpropimorph Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Hardacre, Christopher; McKeown, Angela; Rooney, David W. One-Pot Multistep Synthetic Strategies for the Production of Fenpropimorph Using an Ionic Liquid Solvent. Organic Process Research & Development (2006),