50878551 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 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 2 2 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 9 10 10 10 11 11 11 12 12 13 13 14 15 16 16 17 17 18 18 19 19 20 20 20 14 20 6 10 11 8 9 26 5 6 21 22 7 9 23 24 8 12 13 25 16 27 28 17 29 30 14 31 15 32 15 33 18 34 19 35 36 37 38 39 40 41 42 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 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 2.866 8.0102 6.4103 6.721 6.4103 7.6995 5.4641 5.4641 6.9939 8.9887 7.3423 4.5981 4.5981 3.732 3.732 9.2993 7.653 10.2778 6.9851 2 6.7004 6.1072 7.7201 8.3133 7.6139 6.6029 9.0092 9.6025 6.7954 6.9598 4.5981 4.5981 3.1951 8.8853 8.2596 10.6919 10.4704 7.1777 6.3784 1.69 1.4631 2.31 -0.9785 0.9335 -2.7833 -0.2233 -1.1738 -0.0171 -1.4785 -2.4785 -1.9785 1.1397 1.6778 -0.9785 -2.9785 -1.4785 -2.4785 2.0902 2.6283 2.2964 3.3726 -1.4785 0.3964 -0.1359 -0.6367 -0.1044 -1.9785 -3.3726 0.52 1.0523 1.9698 1.1899 -0.3585 -3.5985 -2.7885 2.5517 2.7561 1.835 2.8857 3.9619 3.2447 -0.9416 -1.7885 -2.0155 8 8 8 8 8 8 8 8 8 8 3 3 5 5 7 7 8 12 13 14 8 9 7 9 8 12 13 14 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 308 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B200000000000000000000000000000016000000030000000000000005801F000001E00100000000C0CC19E063EC6F3C99400A0033467440082882031222008D9A03E6C980C26E2C4B19B84302864D011C8E807B0D0F20E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-allyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-en-1-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-prop-2-enyl-2-propen-1-amine 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>-prop-2-enylprop-2-en-1-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-prop-2-enylprop-2-en-1-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-prop-2-enyl-prop-2-en-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diallyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HGRHWEAUHXYNNP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 270.173213330 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H22N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 270.37 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)NC=C2CCN(CC=C)CC=C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)NC=C2CCN(CC=C)CC=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 2021.10.14 270.173213330 20 0 0 0 0 0 0 0 1 -1