5626 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 47 8 8 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 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 14 15 17 17 17 18 18 18 19 19 19 20 20 20 15 19 16 20 4 9 10 5 6 21 7 22 23 8 24 25 8 11 12 13 26 27 14 28 29 15 30 16 31 17 32 33 18 34 35 16 36 37 38 39 40 41 42 43 44 45 46 47 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 1 1 1 1 2 1 1 1 1 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 43 44 45 46 47 2 2 7.1279 6.1279 5.5443 5.5443 4.5981 4.5981 7.6279 7.6279 3.732 3.732 8.6279 8.6279 2.866 2.866 9.1279 9.1279 2 2 6.4096 5.2933 6.0817 6.0817 5.2933 7.0453 7.7356 7.7356 7.0453 3.732 3.732 9.2105 8.5202 8.5202 9.2105 8.591 9.4379 9.6648 9.6648 9.4379 8.591 1.38 2 2.62 2.62 2 1.38 -1 1 0 0 -0.8047 0.8047 -0.5 0.5 -0.866 0.866 -1 1 -0.866 0.866 -0.5 0.5 -1.732 1.732 -2 2 -0.5523 -1.3716 -1.114 1.114 1.3716 -1.0781 -1.4766 1.4766 1.0781 -1.62 1.62 -0.654 -0.2554 0.2554 0.654 -2.042 -2.269 -1.422 1.422 2.269 2.042 -2 -2.62 -2 2 2.62 2 8 8 8 8 8 8 7 7 8 11 12 15 8 11 12 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 258 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A3000000000000000000000000000000180000000300000000000000060010000001E00000000000C2CC198063206830004008002204200000208002020000088000E88880D262284B11B84302224C0118AA80790D0B30EA0000100001040004000020000208000200008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-dimethoxy-N,N-dipropyl-indan-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-dimethoxy-<I>N</I>,<I>N</I>-dipropyl-2,3-dihydro-1<I>H</I>-inden-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5,6-dimethoxyindan-2-yl)-dipropyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UOLJKAPABHXFRE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 277.204179104 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H27NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 277.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 277.204179104 20 0 0 0 0 0 0 0 1 -1