53308667 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 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 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 6 6 6 7 7 7 8 8 8 9 9 9 11 12 12 13 14 14 14 15 15 16 16 16 17 17 18 18 19 19 20 21 21 22 22 23 24 24 23 46 25 47 11 14 34 10 13 6 10 11 7 26 27 8 28 29 9 30 31 10 32 33 12 13 15 17 16 35 36 18 37 19 38 39 20 40 20 41 21 22 42 23 43 24 44 25 25 45 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 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 7.2641 8.9962 4.666 4.666 5.5321 6.426 7.3321 7.3321 6.426 5.5321 4.666 3.8 3.8 5.5321 2.9061 5.5321 2.9061 2 6.3981 2 6.3981 7.2641 7.2641 8.1301 8.1301 6.8196 6.0214 7.9429 7.5411 7.5411 7.9429 6.0214 6.8196 4.1291 5.7441 6.1426 2.9132 5.32 4.9215 2.9132 1.4643 1.4643 5.8612 7.2641 8.6671 6.7272 9.5331 3.6123 2.6123 -0.8877 -3.8877 -2.3877 -1.853 -2.3668 -3.4085 -3.9223 -3.3877 -1.8877 -2.3877 -3.3877 -0.3877 -1.853 0.6123 -3.9223 -2.3668 1.1123 -3.4085 2.1123 0.6123 2.6123 1.1123 2.1123 -1.374 -1.3832 -2.473 -1.7832 -3.9922 -3.3024 -4.3921 -4.4014 -0.5777 -0.9703 -0.28 -1.233 1.1949 0.5047 -4.5423 -2.0548 -3.7206 2.4223 -0.0077 0.8023 3.9223 2.3023 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 11 12 12 13 15 17 18 19 19 21 22 23 24 10 13 10 11 12 13 15 17 18 20 20 21 22 23 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 432 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1F400001E00100800000C0CC19E0430C6F2C81200A003246244008280202122200898A03EEC980926E2C2D1D384740964D011C9D80790D0F20E20000100000240004000020000048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzene-1,2-diol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzene-1,2-diol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzene-1,2-diol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzene-1,2-diol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzene-1,2-diol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]pyrocatechol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H22N2O2/c24-19-10-9-14(13-20(19)25)11-12-22-21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1,3,5,7,9-10,13,24-25H,2,4,6,8,11-12H2,(H,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OFLOLCWSTYMAGI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.168127949 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H22N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCC4=CC(=C(C=C4)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCC4=CC(=C(C=C4)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 65.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.168127949 25 0 0 0 0 0 0 0 1 -1