11673493 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 8 8 8 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 3 3 4 4 4 5 5 5 5 6 6 6 7 7 8 8 8 9 10 10 11 12 12 13 15 15 15 16 16 16 17 17 17 11 15 13 16 14 17 10 26 27 6 7 10 18 8 19 20 9 12 9 21 22 11 23 24 13 14 25 14 28 29 30 31 32 33 34 35 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 5 6 10 7 18 2 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 4.5981 2.866 2.866 7.6995 6.4103 6.9939 5.4641 6.4103 5.4641 6.721 4.5981 4.5981 3.732 3.732 3.732 2 2.866 5.9729 7.4548 7.4548 6.1593 6.9477 6.7004 6.1072 4.5981 7.8921 8.1136 3.422 3.1951 4.042 2.31 1.4631 1.69 3.486 2.866 2.246 -2.0254 -1.0254 0.9746 1.9361 0.7793 -0.0254 0.4746 -0.8301 -0.5254 1.7299 -1.0254 0.9746 -0.5254 0.4746 -2.5254 -0.5254 1.9746 1.2187 -0.4401 0.3893 -1.397 -1.1394 2.3495 1.8172 1.5946 2.5254 1.4746 -1.9885 -2.8354 -3.0623 0.0115 -0.2154 -1.0623 1.9746 2.5946 1.9746 6 8 8 8 8 8 8 5 7 7 9 11 12 13 10 9 12 11 13 14 14 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 249 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0723000000000000000000000000000000180000000300000000000000060010000001E00100000000D04C198063206804004008002204200000208002020000088800688880D272284B11B80302225D0150AA80790F0FC0EA0000108001840004000021000308001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(1R)-4,5,6-trimethoxyindan-1-yl]methanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(1<I>R</I>)-4,5,6-trimethoxy-2,3-dihydro-1<I>H</I>-inden-1-yl]methanamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methanamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methanamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(1R)-4,5,6-trimethoxyindan-1-yl]methylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H19NO3/c1-15-11-6-10-8(7-14)4-5-9(10)12(16-2)13(11)17-3/h6,8H,4-5,7,14H2,1-3H3/t8-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AFTIZGHFDCOQFS-QMMMGPOBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.13649347 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H19NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C(=C2CCC(C2=C1)CN)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C(=C2CC[C@H](C2=C1)CN)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 53.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.13649347 17 1 1 0 0 0 0 0 1 -1