38207 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 8 7 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 2 2 2 3 3 3 3 4 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 22 22 22 12 41 17 22 42 5 7 8 9 6 10 11 23 6 24 25 26 27 10 13 11 14 12 28 29 15 16 17 30 18 31 19 32 20 33 21 34 35 36 20 37 21 38 39 40 43 44 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 12 1 9 17 30 3 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 6.8275 6.3099 5.4133 5.6721 4.4355 5.3015 6.8122 4.0406 5.1545 7.0711 3.6986 5.8616 7.5373 3.3834 8.0729 2.6757 5.6028 8.5455 2.3563 8.8151 2 6.0511 6.1278 4.1308 3.8926 5.8832 5.0383 4.5926 4.7989 6.3 7.37 3.6022 8.2264 2.4704 5.0409 5.2472 8.9822 1.9596 9.4134 1.3898 7.2659 6.9088 5.4522 5.8906 6.6499 -0.4155 -2.3474 0.9987 1.9646 2.8133 3.3133 0.4899 0.4067 0.0328 1.4558 1.3464 -0.6743 -0.2579 -0.4015 1.7409 1.5431 -1.6402 0.0039 -0.2285 1.01 0.7503 -3.3133 2.385 3.3532 2.5138 3.5278 3.8746 0.2948 -0.4751 -1.1127 -0.8549 -0.9816 2.3416 2.1281 -1.3782 -2.1481 -0.4362 -0.705 1.1728 0.8603 -0.8539 -2.1869 -3.1528 -3.9122 -3.4738 8 8 8 8 8 8 3 8 8 8 8 8 8 7 7 8 8 10 11 12 13 14 15 16 18 19 10 13 11 14 15 16 1 18 19 20 21 20 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 371 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A20000000000000000000000000000000000000003060C1830000000000C14000001E00100800000F14E19806320082C002008002204200000200002000000888800800880A302280911084600024900018880790C0F00F80000000001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)-2-propanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methylamino)-3-(1-tetracyclo[6.6.2.0<SUP>2,7</SUP>.0<SUP>9,14</SUP>]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methylamino)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-2-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FDXQKWSTUZCCTM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 293.177964357 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H23NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 293.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNCC(CC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNCC(CC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 32.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 293.177964357 22 1 0 1 0 0 0 0 1 1