10082683 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 8 7 7 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 10 11 11 11 12 12 12 13 13 13 14 15 15 16 16 17 14 37 4 6 11 9 10 33 5 18 19 7 20 21 12 13 22 8 10 9 14 15 23 24 25 26 27 28 29 30 31 32 16 17 34 17 35 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 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 2.866 6.2781 4.6783 5.9674 4.9889 7.2566 4.6783 3.732 3.732 5.2619 5.6103 7.5673 7.9244 2.866 2.866 2 2 5.988 6.5812 4.9684 4.3751 7.064 5.8819 6.0717 5.1962 5.1488 8.1566 7.7599 6.978 7.463 8.3385 8.3859 4.8709 2.866 1.4631 1.4631 2.3291 0.6627 1.5747 -2.1421 0.6241 0.4179 1.7809 -0.5326 -0.8373 -1.8373 -1.3373 2.319 2.7314 1.0366 -0.3373 -2.3373 -0.8373 -1.8373 0.0045 0.5368 1.0376 0.5053 1.1916 -1.3373 2.733 2.7804 1.9049 2.5388 3.3207 2.924 0.6225 0.5751 1.4506 -2.7314 -2.9573 -0.5273 -2.1473 0.9727 8 8 8 8 8 8 8 8 8 8 3 3 7 7 8 8 9 14 15 16 9 10 8 10 9 14 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 244 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 00000371E073200000000000000000000000000000016000000030000000000000005801F000001E00100800000C2CC19E043EC6F3C99200A0033467440082802031222008D9A03E6C980826E2C2919384700866D019C8D807B0D0E30E80000002000A00000000000400140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[isopropyl(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-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[methyl(propan-2-yl)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-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[isopropyl(methyl)amino]ethyl]-1H-indol-4-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H20N2O/c1-10(2)16(3)8-7-11-9-15-12-5-4-6-13(17)14(11)12/h4-6,9-10,15,17H,7-8H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RXKGHZCQFXXWFQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.157563266 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H20N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)N(C)CCC1=CNC2=C1C(=CC=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)N(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 2021.10.14 232.157563266 17 0 0 0 0 0 0 0 1 -1