71482719 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 8 8 7 7 6 6 6 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 2 2 3 3 3 4 4 5 5 6 6 7 7 8 9 10 10 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 22 23 23 25 25 25 26 26 26 20 25 24 26 5 10 13 8 9 6 7 8 11 9 12 14 15 16 17 18 27 19 28 29 30 31 21 32 22 33 20 34 23 35 21 36 22 37 24 38 39 24 40 41 42 43 44 45 46 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 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 6.3981 8.1301 4.666 4.666 4.666 3.8 5.5321 3.8 5.5321 5.5321 2.9061 6.426 3.8 2.9061 6.426 5.5321 6.3981 2 7.3321 6.3981 2 7.3321 7.2641 7.2641 5.5321 8.9962 2.9132 6.4188 4.11 3.2631 3.49 2.9132 6.4188 4.9951 6.3981 1.4643 7.8678 1.4643 7.8678 7.801 5.8421 4.9951 5.2221 8.6862 9.5331 9.3062 2.7673 1.7673 -0.2327 -3.2327 -1.2327 -1.7327 -1.7327 -2.7327 -2.7327 0.2673 -1.198 -1.198 0.2673 -3.2673 -3.2673 1.2673 -0.2327 -1.7118 -1.7118 1.7673 -2.7535 -2.7535 0.2673 1.2673 3.2673 1.2673 -0.578 -0.578 0.8043 0.5773 -0.2696 -3.8873 -3.8873 1.5773 -0.8527 -1.3998 -1.3998 -3.0656 -3.0656 -0.0427 3.8043 3.5773 2.7304 0.7304 0.9573 1.8043 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 7 8 9 10 10 11 12 14 15 16 17 18 19 20 23 8 9 6 7 8 11 9 12 14 15 16 17 18 19 21 22 20 23 21 22 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 437 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1FC00001E00000000000C0C819E0632C6F3081400A003246244008288202122200898203EEC980D26E2C4F1DB84342A66C019CAE807B0D0C30E00400002000240000080000400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,4-dimethoxyphenyl)-N-methyl-acridin-9-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,4-dimethoxyphenyl)-N-methyl-9-acridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3,4-dimethoxyphenyl)-<I>N</I>-methylacridin-9-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,4-dimethoxyphenyl)-N-methylacridin-9-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,4-dimethoxyphenyl)-N-methyl-acridin-9-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 acridin-9-yl-(3,4-dimethoxyphenyl)-methyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H20N2O2/c1-24(15-12-13-20(25-2)21(14-15)26-3)22-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)22/h4-14H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BRHNZCLBSPAKQC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.152477885 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H20N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C1=CC(=C(C=C1)OC)OC)C2=C3C=CC=CC3=NC4=CC=CC=C42 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C1=CC(=C(C=C1)OC)OC)C2=C3C=CC=CC3=NC4=CC=CC=C42 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 34.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.152477885 26 0 0 0 0 0 0 0 1 -1