12924821 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 8 8 7 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 10 11 12 12 13 14 14 14 15 15 15 10 14 11 15 4 23 24 5 6 16 7 17 18 8 19 20 9 21 22 9 10 11 12 13 13 25 26 27 28 29 30 31 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 4 3 5 6 16 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 29 30 31 32 2.866 2.866 6.3961 5.5321 5.5321 4.626 4.626 3.732 3.732 2.866 2.866 2 2 2 2 5.5285 6.1429 5.7411 4.2214 5.0196 5.0196 4.2214 6.9343 6.3938 1.4631 1.4631 1.69 1.4631 2.31 2.31 1.4631 1.69 -2 2 -1.0241 -0.5208 0.5208 -1.0347 1.0347 -0.5 0.5 -1 1 -0.5 0.5 -2.5 2.5 -1.1408 0.4147 1.1045 -1.5044 -1.5137 1.5137 1.5044 -0.7162 -1.6442 -0.81 0.81 -1.9631 -2.81 -3.0369 3.0369 2.81 1.9631 3 8 8 8 8 8 8 4 8 8 9 10 11 12 3 9 10 11 12 13 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 210 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0723000000000000000000000000000000000000000306000000000000000C10000001E00100000000C2CC198063206804004008002204200000208002020000888800608880C262284B01B80302024D01108A807F0D0B10E81000100001800001200028000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5,8-dimethoxytetralin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5,8-dimethoxytetralin-2-yl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H17NO2/c1-14-11-5-6-12(15-2)10-7-8(13)3-4-9(10)11/h5-6,8H,3-4,7,13H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZBZBZZQOTZTHIC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 207.125928785 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H17NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 207.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C2CCC(CC2=C(C=C1)OC)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C2CCC(CC2=C(C=C1)OC)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 44.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 207.125928785 15 1 0 1 0 0 0 0 1 -1