71129 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 8 7 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 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 12 13 13 13 14 14 15 15 16 3 8 4 10 27 4 5 17 7 18 6 19 20 8 21 22 9 23 24 25 26 11 12 13 28 29 14 30 15 31 32 33 34 16 35 16 36 37 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 1 1 1 2 1 1 1 1 3 1 4 5 17 1 1 4 2 3 7 18 1 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 2.923 4.5981 3.732 3.732 4.5411 4.232 2.866 3.232 2.866 5.4641 3.732 2 6.3301 3.732 2 2.866 2.9747 3.732 4.8511 5.1075 4.8385 4.1672 2.654 2.2554 3.2969 2.6256 4.5981 5.8626 5.0656 4.269 1.4631 6.0201 6.8671 6.6401 4.269 1.4631 2.866 2.0684 -0.0194 1.4806 0.4806 2.0684 3.0194 -0.0194 3.0194 -1.0194 0.4806 -1.5194 -1.5194 -0.0194 -2.5194 -2.5194 -3.0194 1.0947 -0.1394 1.5314 2.3205 3.1483 3.636 0.5632 -0.1271 3.636 3.1483 -0.6394 0.9555 0.9555 -1.2094 -1.2094 -0.5564 -0.3294 0.5175 -2.8294 -2.8294 -3.6394 5 6 8 8 8 8 8 8 3 4 9 9 11 12 14 15 17 2 11 12 14 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 189 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 00000371E0722000000000000000000000000000000120000000300000000000000000010000001E00100000000C3CE19806320082C004008002204200000200002000000888800800880A202280911187200024900098880790D0E30E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R)-N-ethyl-2-phenyl-1-[(2R)-tetrahydrofuran-2-yl]ethanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R)-N-ethyl-1-[(2R)-2-oxolanyl]-2-phenylethanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1<I>R</I>)-<I>N</I>-ethyl-1-[(2<I>R</I>)-oxolan-2-yl]-2-phenylethanamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R)-N-ethyl-1-[(2R)-oxolan-2-yl]-2-phenylethanamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R)-N-ethyl-1-[(2R)-oxolan-2-yl]-2-phenyl-ethanamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl-[(1R)-2-phenyl-1-[(2R)-tetrahydrofuran-2-yl]ethyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H21NO/c1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DOFCLOLKFGSRTG-ZIAGYGMSSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 219.162314293 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H21NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 219.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCNC(CC1=CC=CC=C1)C2CCCO2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN[C@H](CC1=CC=CC=C1)[C@H]2CCCO2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 219.162314293 16 2 2 0 0 0 0 0 1 -1