151182 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 8 7 7 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 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 15 16 16 17 17 18 19 20 20 20 18 20 4 5 6 14 15 40 7 21 22 9 10 23 11 12 24 8 25 26 13 15 27 28 29 30 31 32 33 34 35 36 37 38 14 16 17 39 18 41 19 42 19 43 44 45 46 1 1 1 1 1 1 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 1 2 1 1 1 2 1 2 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 2.866 8.0102 6.4103 7.6995 8.9887 7.3423 6.721 6.4103 9.2993 9.6565 7.653 6.3638 5.4641 5.4641 6.9939 4.5981 4.5981 3.732 3.732 2 7.7201 8.3133 8.796 7.949 6.7004 6.1072 9.8886 9.4919 8.71 9.195 10.0706 10.118 8.2423 7.8456 7.0636 6.236 5.7571 6.4917 7.6139 6.6029 4.5981 4.5981 3.1951 1.69 1.4631 2.31 -0.6064 1.3056 -2.4111 0.3551 1.5118 2.0499 0.1489 -0.8016 2.4623 0.7675 3.0004 1.8437 -1.1064 -2.1064 -1.6064 -0.6064 -2.6064 -1.1064 -2.1064 -1.1064 -0.2646 0.2677 0.9225 2.1778 0.7685 0.2362 2.2697 3.0517 2.655 0.3535 0.3061 1.1816 2.8078 3.5898 3.193 2.4504 1.7158 1.237 -1.6064 -3.0004 0.0136 -3.2264 -2.4164 -0.5694 -1.4164 -1.6433 8 8 8 8 8 8 8 8 8 8 3 3 8 8 13 13 14 16 17 18 14 15 13 15 14 16 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 285 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B200000000000000000000000000000016000000030000000000000005801F000001E00100000000C2CC19E063EC6F3C99400A0033467440082882031222008D9A03E6C980C26E2C4B19B84302864D011C8E807B0D0F20E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-isopropyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-yl-2-propanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2-(5-methoxy-1<I>H</I>-indol-3-yl)ethyl]-<I>N</I>-propan-2-ylpropan-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-yl-propan-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diisopropyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17/h6-7,10-13,18H,8-9H2,1-5H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DNBPMBJFRRVTSJ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 274.204513457 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H26N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 274.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 28.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 274.204513457 20 0 0 0 0 0 0 0 1 1