3815572 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 49 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 6 1 1 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 6 7 7 7 8 8 9 9 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 23 24 24 26 26 26 27 27 27 21 26 25 27 5 6 32 10 11 8 9 7 28 29 12 30 31 10 13 11 14 16 17 15 18 19 33 20 34 21 35 22 36 23 37 24 38 22 39 23 40 25 41 42 25 43 44 45 46 47 48 49 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 2 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 47 48 49 8.9962 8.9962 4.666 4.666 4.666 5.5321 5.5321 5.5321 3.8 5.5321 3.8 6.3981 6.426 2.9061 7.2641 6.426 2.9061 6.3981 7.3321 2 8.1301 7.3321 2 7.2641 8.1301 9.8622 8.9962 5.7441 6.1426 5.32 4.9215 4.1291 6.4188 2.9132 7.2641 6.4188 2.9132 5.8612 7.8678 1.4643 7.8678 1.4643 7.2641 10.1722 10.3991 9.5522 9.6162 8.9962 8.3762 0.7673 2.7673 -0.7327 -3.7327 -1.7327 -0.2327 0.7673 -2.2327 -2.2327 -3.2327 -3.2327 1.2673 -1.698 -1.698 0.7673 -3.7673 -3.7673 2.2673 -2.2118 -2.2118 1.2673 -3.2535 -3.2535 2.7673 2.2673 1.2673 3.7673 -0.8153 -0.125 1.3499 0.6597 -0.4227 -1.078 -1.078 0.1473 -4.3873 -4.3873 2.5773 -1.8998 -1.8998 -3.5656 -3.5656 3.3873 0.7304 1.5773 1.8043 3.7673 4.3873 3.7673 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 8 8 9 9 10 11 12 12 13 14 15 16 17 18 19 20 21 24 10 11 8 9 10 13 11 14 16 17 15 18 19 20 21 22 23 24 22 23 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 438 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1FC00001E00100000000C0CC19E0632C6F2C81400A003246244008288202122200898A03EEC980D26E2C4F1DB84342A64D011CAE80790D0F20E20000100000240004000020000048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(3,4-dimethoxyphenyl)ethyl]acridin-9-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(3,4-dimethoxyphenyl)ethyl]-9-acridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2-(3,4-dimethoxyphenyl)ethyl]acridin-9-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(3,4-dimethoxyphenyl)ethyl]acridin-9-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(3,4-dimethoxyphenyl)ethyl]acridin-9-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-9-yl(homoveratryl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H22N2O2/c1-26-21-12-11-16(15-22(21)27-2)13-14-24-23-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)23/h3-12,15H,13-14H2,1-2H3,(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NICIPFPGDVMZQH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 358.168127949 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H22N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 358.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)CCNC2=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)CCNC2=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 2021.10.14 358.168127949 27 0 0 0 0 0 0 0 1 -1