824845 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 7 7 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 2 2 2 3 3 3 3 4 4 5 5 6 6 7 8 9 9 9 10 10 11 11 11 12 12 13 13 13 14 14 15 4 9 11 7 8 23 4 5 16 17 18 19 6 8 7 10 12 20 13 21 22 14 27 24 25 26 15 28 29 30 31 15 32 33 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 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 6.2781 4.6783 4.9889 5.9674 4.6783 3.732 3.732 5.2619 7.2566 2.866 5.6103 2.866 7.5673 2 2 4.9684 4.3751 5.988 6.5812 5.8819 7.2772 7.8704 4.8709 6.0717 5.1962 5.1488 2.866 2.866 8.1566 7.7599 6.978 1.4631 1.4631 1.5747 -2.1421 0.4179 0.6241 -0.5326 -0.8373 -1.8373 -1.3373 1.7809 -0.3373 2.319 -2.3373 2.7314 -0.8373 -1.8373 1.0376 0.5053 0.0045 0.5368 -1.3373 1.1612 1.6935 -2.7314 2.733 2.7804 1.9049 0.2827 -2.9573 2.5388 3.3207 2.924 -0.5273 -2.1473 8 8 8 8 8 8 8 8 8 8 2 2 5 5 6 6 7 10 12 14 7 8 6 8 7 10 12 14 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 193 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E073000000000000000000000000000000016000000030000000000000005801F000001C00100000000C08C11E043EC0F3C99000A0033467440082802031022008D9A03864980820E2C09191842008609000C8C8071080C00E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-2-(1H-indol-3-yl)-N-methyl-ethanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-2-(1H-indol-3-yl)-N-methylethanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-ethyl-2-(1<I>H</I>-indol-3-yl)-<I>N</I>-methylethanamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-2-(1H-indol-3-yl)-N-methylethanamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-2-(1H-indol-3-yl)-N-methyl-ethanamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl-[2-(1H-indol-3-yl)ethyl]-methyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H18N2/c1-3-15(2)9-8-11-10-14-13-7-5-4-6-12(11)13/h4-7,10,14H,3,8-9H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MYEGVMLMDWYPOA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.146998583 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H18N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(C)CCC1=CNC2=CC=CC=C21 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(C)CCC1=CNC2=CC=CC=C21 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 19 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.146998583 15 0 0 0 0 0 0 0 1 1