53308662 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 8 8 9 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 22 23 24 25 25 25 26 26 26 22 25 23 26 5 8 29 9 10 6 7 9 12 10 13 11 27 28 14 15 16 17 18 30 19 31 20 32 21 33 22 34 24 35 20 36 21 37 38 39 23 24 40 41 42 43 44 45 46 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 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 7.2641 5.5321 4.666 4.666 4.666 3.8 5.5321 5.5321 3.8 5.5321 5.5321 2.9061 6.426 2.9061 6.426 6.3981 4.666 2 7.3321 2 7.3321 6.3981 5.5321 4.666 8.1301 4.666 5.7441 6.1426 4.1291 2.9132 6.4188 2.9132 6.4188 6.935 4.1291 1.4643 7.8678 1.4643 7.8678 4.1291 7.8201 8.6671 8.4401 4.976 4.1291 4.356 2.5173 3.5173 -0.9827 -3.9827 -1.9827 -2.4827 -2.4827 -0.4827 -3.4827 -3.4827 0.5173 -1.948 -1.948 -4.0173 -4.0173 1.0173 1.0173 -2.4618 -2.4618 -3.5035 -3.5035 2.0173 2.5173 2.0173 2.0173 4.0173 -1.0653 -0.375 -0.6727 -1.328 -1.328 -4.6373 -4.6373 0.7073 0.7073 -2.1498 -2.1498 -3.8156 -3.8156 2.3273 1.4804 1.7073 2.5543 4.5543 4.3273 3.4804 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 9 10 11 11 12 13 14 15 16 17 18 19 22 23 9 10 6 7 9 12 10 13 14 15 16 17 18 19 20 21 22 24 20 21 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 424 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1FC00001E00100000000C0CC19E0632C6F2C81400A003246244008288202122200898A03EEC980D26E2C4F1DB84342A64C011CAE807B0D0D20E20000100000240004000020000048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3,4-dimethoxyphenyl)methyl]acridin-9-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3,4-dimethoxyphenyl)methyl]-9-acridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(3,4-dimethoxyphenyl)methyl]acridin-9-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3,4-dimethoxyphenyl)methyl]acridin-9-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3,4-dimethoxyphenyl)methyl]acridin-9-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-9-yl(veratryl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H20N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3-13H,14H2,1-2H3,(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IAFBUXPIYGOMLA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 344.152477885 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H20N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 344.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)CNC2=C3C=CC=CC3=NC4=CC=CC=C42)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)CNC2=C3C=CC=CC3=NC4=CC=CC=C42)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 43.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 344.152477885 26 0 0 0 0 0 0 0 1 -1