127153 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 7 7 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 10 10 10 11 11 11 12 13 14 15 15 15 16 16 16 17 17 18 19 19 19 20 20 20 21 21 21 14 21 4 10 11 12 13 32 5 6 22 7 23 24 8 25 26 9 13 9 14 12 15 27 28 16 29 30 17 31 18 19 33 34 20 35 36 18 37 38 39 40 41 42 43 44 45 46 47 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 4 2 5 6 22 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 46 47 2.9176 6.3981 3.3073 5.5321 5.5321 4.666 4.666 3.8 3.8 7.2641 6.3981 2.9061 4.3009 2.9061 8.1301 7.2641 2 2 8.9962 7.2641 2.0574 5.5321 6.1426 5.7441 4.2675 5.0646 7.6626 6.8656 5.7875 6.186 4.6546 2.9739 7.7316 8.5287 7.8747 7.4762 1.4643 1.4643 9.3062 9.5331 8.6862 6.6441 7.2641 7.8841 1.7413 1.5241 2.3736 -1.5179 -0.4833 2.4606 0.0167 1.0167 -0.4833 1.5167 0.0167 1.0167 0.0167 -1.4833 1.5514 2.441 -0.518 -0.4833 -1.9833 1.0375 -0.0041 0.0167 -2.9833 -2.0279 -0.6033 0.909 1.5993 -0.9583 -0.9583 0.4916 0.4916 -1.3756 -2.0659 2.9502 2.9833 -0.9583 -0.9583 -2.091 -1.4007 1.3496 -0.3162 -0.5202 0.3267 0.5536 -2.9833 -3.6033 -2.9833 -1.4946 -2.3441 -2.5612 8 8 3 8 8 8 8 8 8 8 8 3 3 4 7 7 8 8 9 12 14 17 12 13 2 9 13 9 14 12 17 18 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 329 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B2000000000000000000000000000000160000000306000000000000058C1F000001E00100000000C2CC19E063EC6F3C99400A0033467440082882031222008D9A03E6C980C26E2C4B19B84302864D011C8E807B0D0F20E80400140001A00001080068000340000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-methoxy-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-methoxy-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-methoxy-<I>N</I>,<I>N</I>-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-methoxy-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-methoxy-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-dipropyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H26N2O/c1-4-8-20(9-5-2)14-10-13-12-19-16-6-7-17(21-3)15(11-14)18(13)16/h6-7,12,14,19H,4-5,8-11H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BMZWFSGTPJUKJR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.204513457 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H26N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN(CCC)C1CC2=CNC3=C2C(=C(C=C3)OC)C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN(CCC)C1CC2=CNC3=C2C(=C(C=C3)OC)C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 28.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.204513457 21 1 0 1 0 0 0 0 1 -1