57395174 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 8 8 7 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 2 2 3 3 3 4 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 14 15 15 16 17 17 18 7 34 16 39 5 11 13 6 7 8 12 6 9 19 20 21 11 22 10 23 24 10 25 26 27 28 29 30 14 15 31 32 33 16 35 17 36 18 18 37 38 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 1 1 1 1 1 1 2 1 2 1 1 1 4 6 8 7 12 2 1 5 3 9 6 19 2 1 7 1 11 4 22 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 37 38 39 5.3741 2.0631 5.7405 4.0501 4.3089 3.5723 5.3217 2.829 2.2756 2 6.0989 3.963 6.2852 3.0566 4.7821 2.9695 4.6949 3.7887 4.5289 3.8901 2.9591 5.8881 2.4232 3.2457 2.2706 1.6613 1.4252 1.7089 6.4366 6.6513 6.8051 6.6228 5.7652 5.9265 2.5487 5.344 5.2028 3.7346 2.0091 -1.0399 -2.0843 1.5216 0.7534 1.7193 2.7019 -0.0413 -0.1123 1.4082 0.4469 0.588 -0.2428 2.3603 -0.6654 -0.8164 -1.6616 -1.8126 -2.2352 2.5403 3.2343 2.7939 -0.2934 -0.581 -0.5714 2.0281 1.492 0.6792 -0.1005 0.0681 0.8695 2.0226 2.8803 2.698 -1.3214 -0.3098 -0.5544 -2.1682 -2.8529 -2.7019 5 6 6 8 8 8 8 8 8 4 5 7 12 12 14 15 16 17 12 19 1 14 15 16 17 18 18 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 309 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07230000000000000000000000000000000000000003C6080000000160000010000001E00000800000E3CE198063206830002008002204200000200002020000888000E08880A362282911284700024C011989807B0E0F40F80000100000000000000028000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,4R,5R)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-4-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,4R,5R)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-4-ol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>S</I>,4<I>R</I>,5<I>R</I>)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-4-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,4R,5R)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-4-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,4R,5R)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-4-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,4R,5R)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-4-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H21NO2/c1-16-10-14(18)15(7-3-5-12(16)9-15)11-4-2-6-13(17)8-11/h2,4,6,8,12,14,17-18H,3,5,7,9-10H2,1H3/t12-,14-,15+/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JUULCRSXGVEZAD-AEGPPILISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 247.157228913 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H21NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 247.33 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CC(C2(CCCC1C2)C3=CC(=CC=C3)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C[C@@H]([C@@]2(CCC[C@H]1C2)C3=CC(=CC=C3)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 43.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 247.157228913 18 3 3 0 0 0 0 0 1 -1