1.0 2020-03-10 17:03:19 UTC 2020-04-22 18:56:52 UTC BMDB0096229 BMDB96229 3-Iodothyronamine T(1)AM CPD C14H14INO2 355.1709 355.006922117 4-[4-(2-aminoethyl)-2-iodophenoxy]phenol 3-iodothyronamine NCCC1=CC(I)=C(OC2=CC=C(O)C=C2)C=C1 InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2 XIINYOJWNGOUPF-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Diphenylethers 1-hydroxy-2-unsubstituted benzenoids 2-arylethylamines Aralkylamines Aryl iodides Diarylethers Hydrocarbon derivatives Iodobenzenes Monoalkylamines Organoiodides Organopnictogen compounds Phenethylamines Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 2-arylethylamine Amine Aralkylamine Aromatic homomonocyclic compound Aryl halide Aryl iodide Diaryl ether Diphenylether Ether Halobenzene Hydrocarbon derivative Iodobenzene Organic nitrogen compound Organic oxygen compound Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Phenethylamine Phenol Phenol ether Phenoxy compound Primary aliphatic amine Primary amine Aromatic homomonocyclic compounds logp 3.74 ALOGPS logs -4.05 ALOGPS logp 2.88 ChemAxon pka_strongest_acidic 9.43 ChemAxon pka_strongest_basic 10.04 ChemAxon iupac 4-[4-(2-aminoethyl)-2-iodophenoxy]phenol ChemAxon average_mass 355.1709 ChemAxon mono_mass 355.006922117 ChemAxon smiles NCCC1=CC(I)=C(OC2=CC=C(O)C=C2)C=C1 ChemAxon formula C14H14INO2 ChemAxon inchi InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2 ChemAxon inchikey XIINYOJWNGOUPF-UHFFFAOYSA-N ChemAxon polar_surface_area 55.48 ChemAxon refractivity 80.87 ChemAxon polarizability 30.39 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 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 33550 Specdb::CMs 48273 Specdb::CMs 130475 Specdb::CMs 138209 Specdb::MsMs 884656 Specdb::MsMs 884657 Specdb::MsMs 884658 Specdb::MsMs 925600 Specdb::MsMs 925601 Specdb::MsMs 925602 Specdb::MsMs 3225796 Specdb::MsMs 3225797 Specdb::MsMs 3225798 Specdb::MsMs 3225799 Specdb::MsMs 3225800 Specdb::MsMs 3225801 9950514 3-Iodothyronamine