131575 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 8 7 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 8 8 9 9 10 10 12 12 12 13 13 13 11 13 3 21 22 4 5 14 6 15 16 7 17 18 7 8 9 10 19 11 20 11 12 23 24 25 26 27 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 3 2 4 5 14 3 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 2 7.1279 6.1279 5.5443 5.5443 4.5981 4.5981 3.732 3.732 2.866 2.866 2 2 6.4096 5.2933 6.0817 6.0817 5.2933 3.732 3.732 7.4379 7.4379 1.69 1.4631 2.31 2.62 2 1.38 0.5 -0.5 -0.5 -1.3047 0.3047 -1 0 -1.5 0.5 -1 0 -1.5 1.5 -1.0523 -1.8716 -1.614 0.614 0.8716 -2.12 1.12 -1.0369 0.0369 -0.9631 -1.81 -2.0369 1.5 2.12 1.5 3 8 8 8 8 8 8 3 6 6 7 8 9 10 2 7 8 9 10 11 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 183 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0722000000000000000000000000000000180000000300000000000000060010000001E00100000000C2CC198063206804004008002204200000208002020000088800608880C262284B11B80302024D01108A80790D0F10EE000030000180000C000060000300000200008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methoxy-6-methyl-indan-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methoxy-6-methyl-2,3-dihydro-1H-inden-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methoxy-6-methyl-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-methoxy-6-methyl-2,3-dihydro-1H-inden-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methoxy-6-methyl-2,3-dihydro-1H-inden-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5-methoxy-6-methyl-indan-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H15NO/c1-7-3-8-4-10(12)5-9(8)6-11(7)13-2/h3,6,10H,4-5,12H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JLESVLCTIOAHPT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 177.115364102 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H15NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 177.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=C(CC(C2)N)C=C1OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=C(CC(C2)N)C=C1OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 35.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 177.115364102 13 1 0 1 0 0 0 0 1 -1