10067667 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 9 9 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 5 5 6 6 7 7 7 8 8 8 8 9 9 10 10 11 12 12 12 13 13 14 14 14 16 17 17 18 20 20 21 21 22 22 23 24 24 24 25 25 25 26 26 26 19 19 19 11 24 15 25 18 26 9 12 31 9 10 27 28 29 30 11 13 16 17 32 33 15 34 15 16 19 35 18 20 21 22 36 23 37 23 38 39 40 41 42 43 44 45 46 47 48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 5.3301 6.3301 7.3301 8.0622 4.5981 2.866 5.4641 6.3301 5.4641 6.3301 7.1962 4.5981 5.4641 6.3301 5.4641 7.1962 4.5981 3.732 6.3301 5.4641 3.732 5.4641 4.5981 8.9282 3.732 2 6.5422 6.9407 5.252 4.8535 6.001 4.386 3.9875 4.9272 7.7331 6.001 3.1951 6.001 4.5981 9.2382 9.4651 8.6182 3.422 3.1951 4.042 1.69 1.4631 2.31 4 5 4 1 3 -3 -1.5 -0 -0.5 1 1.5 -2 1.5 3 2.5 2.5 -3 -3.5 4 -3.5 -4.5 -4.5 -5 1.5 2.5 -3.5 -0.5826 0.1077 0.0826 -0.6077 -1.81 -1.4174 -2.1077 1.19 2.81 -3.19 -4.81 -4.81 -5.62 0.9631 1.81 2.0369 3.0369 2.19 1.9631 -2.9631 -3.81 -4.0369 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 13 14 14 17 17 18 20 21 22 11 13 16 15 15 16 18 20 21 22 23 23 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 408 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3180000000000000000000000000000000000000306000000000000000014000001F00100000000C04C19816320682C004008002204200008208002020000888800E0C880C262284B11B84302866D01188A807F0D0F20E41000100000800008200020000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-<I>N</I>-[(2-methoxyphenyl)methyl]ethanamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethyl-o-anisyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H22F3NO3/c1-24-16-7-5-4-6-14(16)12-23-9-8-13-10-18(26-3)15(19(20,21)22)11-17(13)25-2/h4-7,10-11,23H,8-9,12H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FBHVTQIAHOTPAM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.15517805 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H22F3NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)C(F)(F)F)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)C(F)(F)F)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 39.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.15517805 26 0 0 0 0 0 0 0 1 -1