21786582 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 8 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 2 2 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 9 10 10 10 11 12 12 12 13 13 14 14 15 15 15 16 11 34 6 10 12 8 9 24 5 6 17 18 7 9 19 20 8 11 13 21 15 22 23 14 25 26 27 16 28 16 32 29 30 31 33 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 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 2.866 6.2781 4.6783 4.9889 4.6783 5.9674 3.732 3.732 5.2619 7.2566 2.866 5.6103 2.866 2 7.5673 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 8.1566 7.7599 6.978 1.4631 1.4631 2.3291 0.6627 1.5747 -2.1421 0.4179 -0.5326 0.6241 -0.8373 -1.8373 -1.3373 1.7809 -0.3373 2.319 -2.3373 -0.8373 2.7314 -1.8373 1.0376 0.5053 0.0045 0.5368 -1.3373 1.1612 1.6935 -2.7314 2.733 2.7804 1.9049 -2.9573 2.5388 3.3207 2.924 -0.5273 -2.1473 0.9727 8 8 8 8 8 8 8 8 8 8 3 3 5 5 7 7 8 11 13 14 8 9 7 9 8 11 13 14 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 222 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 00000371E073200000000000000000000000000000016000000030000000000000005801F000001E00100800000C0CC19E043EC6F3C99200A0033467440082802031222008D9A03E6C980826E2C2919384700866D019C8D807B0D0E30E80000002000A00000000000400140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[ethyl(methyl)amino]ethyl]-1<I>H</I>-indol-4-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H18N2O/c1-3-15(2)8-7-10-9-14-11-5-4-6-12(16)13(10)11/h4-6,9,14,16H,3,7-8H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ORWQBKPSGDRPPA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.141913202 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H18N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(C)CCC1=CNC2=C1C(=CC=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(C)CCC1=CNC2=C1C(=CC=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 39.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.141913202 16 0 0 0 0 0 0 0 1 -1