56840774 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 53 54 55 56 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 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 11 12 12 13 14 14 14 15 15 16 16 17 17 17 18 18 19 20 20 21 21 21 22 22 23 23 24 25 25 27 27 27 28 28 28 24 27 26 28 10 13 11 14 37 6 10 11 7 29 30 8 31 32 9 33 34 10 35 36 12 13 15 16 17 38 39 18 40 19 41 20 42 43 19 21 44 22 23 45 46 47 24 48 25 49 26 26 50 51 52 53 54 55 56 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 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 47 48 49 50 51 52 53 54 55 56 4.5981 2.866 7.1962 7.1962 6.3301 5.4362 4.5301 4.5301 5.4362 6.3301 7.1962 8.0622 8.0622 6.3301 8.9561 8.9561 6.3301 9.8622 9.8622 5.4641 10.7263 5.4641 4.5981 4.5981 3.732 3.732 5.4641 2 5.8408 5.0426 4.3211 3.9193 3.9193 4.3211 5.0426 5.8408 7.7331 5.7196 6.1181 8.949 8.949 6.9407 6.5422 10.3979 11.0383 11.262 10.4142 6.001 4.5981 3.1951 5.7741 6.001 5.1541 1.69 1.4631 2.31 3.5173 2.5173 -3.9827 -0.9827 -2.4827 -1.948 -2.4618 -3.5035 -4.0173 -3.4827 -1.9827 -2.4827 -3.4827 -0.4827 -1.948 -4.0173 0.5173 -2.4618 -3.5035 1.0173 -1.9585 2.0173 0.5173 2.5173 1.0173 2.0173 4.0173 2.0173 -1.4782 -1.469 -1.8782 -2.568 -3.3974 -4.0872 -4.4963 -4.4871 -0.6727 -0.375 -1.0653 -1.328 -4.6373 0.4097 1.0999 -3.8156 -2.4943 -1.6464 -1.4228 2.3273 -0.1027 0.7073 3.4804 4.3273 4.5543 2.5543 1.7073 1.4804 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 11 12 12 13 15 16 18 20 20 22 23 24 25 10 13 10 11 12 13 15 16 18 19 19 22 23 24 25 26 26 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 487 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C0CC19E0632C6F2C81400A003246244008288202122200898A03EEC980D26E2C4F1DB84342A64D011CAE80790D0F20E28000300000240005000060000048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-1,2,3,4-tetrahydroacridin-9-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-1,2,3,4-tetrahydroacridin-9-amine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-1,2,3,4-tetrahydroacridin-9-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-1,2,3,4-tetrahydroacridin-9-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-1,2,3,4-tetrahydroacridin-9-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 homoveratryl-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H28N2O2/c1-16-8-10-21-19(14-16)24(18-6-4-5-7-20(18)26-21)25-13-12-17-9-11-22(27-2)23(15-17)28-3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,25,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BHXSRZLMPMTMCQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.215078140 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H28N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=C3CCCCC3=C2NCCC4=CC(=C(C=C4)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=C3CCCCC3=C2NCCC4=CC(=C(C=C4)OC)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 2021.05.07 376.215078140 28 0 0 0 0 0 0 0 1 -1