6603866 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 8 7 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 2 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 11 12 12 12 13 14 14 15 15 16 17 17 17 18 18 18 13 43 3 9 10 4 5 19 6 20 21 7 22 23 8 24 25 8 13 14 11 26 27 12 28 29 17 30 31 18 32 33 15 16 34 16 35 36 37 38 39 40 41 42 1 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 1 2 2 1 1 1 1 1 1 1 1 1 1 3 2 5 4 19 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 40 41 42 43 8.0785 4.5981 5.4641 5.4641 6.3301 6.3301 7.1962 7.1962 3.732 4.5981 2.866 3.732 8.0901 8.0901 8.9962 8.9962 2 3.732 5.4641 5.252 4.8535 5.9316 6.7287 6.7287 5.9316 4.1306 3.3335 4.8101 5.2087 2.4675 3.2646 3.52 3.1215 8.0829 9.5319 9.5319 2.31 1.4631 1.69 3.112 3.732 4.352 8.6118 -0.8019 0.2327 0.7327 1.7327 0.2327 2.2327 0.7327 1.7327 0.7327 -0.7673 0.2327 -1.2673 0.198 2.2673 0.7119 1.7535 0.7327 -2.2673 0.1127 2.3153 1.625 -0.2423 -0.2423 2.7076 2.7076 1.2076 1.2076 -1.3499 -0.6597 -0.2423 -0.2423 -0.6847 -1.375 2.8873 0.3998 2.0656 1.2696 1.0427 0.1957 -2.2673 -2.8873 -2.2673 -1.1181 6 8 8 8 8 8 8 3 7 7 8 13 14 15 2 8 13 14 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 237 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A2000000000000000000000000000000000000000306000000000000000C10000001E00000800000C2CC198043206830002008002204200000200002020000888000E088808262282911384700024C011889807B0C0B00E80000100001800001000028000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R)-3-(dipropylamino)tetralin-5-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (7<I>R</I>)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R)-3-(dipropylamino)tetralin-5-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ASXGJMSKWNBENU-CQSZACIVSA-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 2021.10.14 247.193614421 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H25NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 247.38 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN(CCC)[C@@H]1CCC2=C(C1)C(=CC=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 23.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 247.193614421 18 1 1 0 0 0 0 0 1 -1