53308661 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 50 51 52 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 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 1 1 2 2 3 3 3 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 10 10 11 11 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 25 27 27 27 28 28 28 20 27 26 28 6 7 35 12 13 6 8 29 30 31 32 9 10 11 33 34 12 14 13 15 16 17 18 19 21 36 22 37 20 38 23 39 24 40 25 41 26 24 42 25 43 26 44 45 46 47 48 49 50 51 52 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 2 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 49 50 51 52 8.1301 6.3981 4.666 4.666 5.5321 5.5321 4.666 6.3981 5.5321 3.8 6.3981 5.5321 3.8 6.426 2.9061 7.2641 5.5321 6.426 2.9061 7.2641 7.3321 2 5.5321 7.3321 2 6.3981 8.9962 5.5321 5.32 4.9215 5.7441 6.1426 6.6101 7.0087 4.1291 6.4188 2.9132 7.801 4.9951 6.4188 2.9132 7.8678 1.4643 4.9951 7.8678 1.4643 8.6862 9.5331 9.3062 5.8421 4.9951 5.2221 3.2673 4.2673 -1.7327 -4.7327 -0.2327 -1.2327 -2.7327 0.2673 -3.2327 -3.2327 1.2673 -4.2327 -4.2327 -2.698 -2.698 1.7673 1.7673 -4.7673 -4.7673 2.7673 -3.2118 -3.2118 2.7673 -4.2535 -4.2535 3.2673 2.7673 4.7673 0.3499 -0.3403 -1.8153 -1.125 -0.3153 0.375 -1.4227 -2.078 -2.078 1.4573 1.4573 -5.3873 -5.3873 -2.8998 -2.8998 3.0773 -4.5656 -4.5656 2.2304 2.4573 3.3043 5.3043 5.0773 4.2304 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 9 9 10 10 11 11 12 13 14 15 16 17 18 19 20 21 22 23 12 13 9 10 12 14 13 15 16 17 18 19 21 22 20 23 24 25 26 24 25 26 0 Compound Canonicalized 5 2011.06.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 452 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1FC00001E00100000000C0CC19E0632C6F2C81400A003246244008288202122200898A03EEC980D26E2C4F1DB84342A64D011CAE80790C0F00E20000100000240004000020000048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(3,4-dimethoxyphenyl)propyl]acridin-9-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(3,4-dimethoxyphenyl)propyl]-9-acridinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[3-(3,4-dimethoxyphenyl)propyl]acridin-9-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(3,4-dimethoxyphenyl)propyl]acridin-9-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(3,4-dimethoxyphenyl)propyl]acridin-9-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 acridin-9-yl-[3-(3,4-dimethoxyphenyl)propyl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H24N2O2/c1-27-22-14-13-17(16-23(22)28-2)8-7-15-25-24-18-9-3-5-11-20(18)26-21-12-6-4-10-19(21)24/h3-6,9-14,16H,7-8,15H2,1-2H3,(H,25,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RZITYDGAPJQGCV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.183778013 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H24N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)CCCNC2=C3C=CC=CC3=NC4=CC=CC=C42)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)CCCNC2=C3C=CC=CC3=NC4=CC=CC=C42)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 43.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.183778013 28 0 0 0 0 0 0 0 1 -1