23844155 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 9 8 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 3 3 4 4 4 5 5 5 5 6 6 7 7 8 9 9 9 10 10 11 12 12 14 14 14 15 15 15 13 8 14 11 15 6 23 24 6 7 16 17 9 18 8 10 12 19 20 21 11 22 13 13 25 26 27 28 29 30 31 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 6 4 5 9 18 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 4.5981 2.866 6.3301 5.4641 4.5981 5.4641 4.5981 3.732 6.3301 5.4641 5.4641 3.732 4.5981 2 7.1962 4.386 3.9875 6.001 6.0201 6.8671 6.6401 6.001 6.001 4.9272 3.1951 1.69 1.4631 2.31 7.5062 7.7331 6.8862 -2.905 0.095 -1.905 2.595 1.095 1.595 0.095 -0.405 1.095 -0.405 -1.405 -1.405 -1.905 -0.405 -1.405 1.6776 0.9873 1.905 0.5581 0.785 1.6319 -0.095 2.905 2.905 -1.715 0.1319 -0.715 -0.9419 -1.9419 -1.095 -0.8681 3 8 8 8 8 8 8 6 7 7 8 10 11 12 4 8 10 12 11 13 13 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 191 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0723100000000000000000000000000000000000000300000000000000000010000001F00100000000C2CC1980E3206804004008002204200000208002020000088800608880C262284B11B80302024D01108A807F0D0B10E01000100000800000200020000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-fluoro-2,5-dimethoxy-phenyl)propan-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-fluoro-2,5-dimethoxyphenyl)-2-propanamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-fluoro-2,5-dimethoxyphenyl)propan-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-fluoro-2,5-dimethoxyphenyl)propan-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-fluoranyl-2,5-dimethoxy-phenyl)propan-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(4-fluoro-2,5-dimethoxy-phenyl)-1-methyl-ethyl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H16FNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NRANUECGGQVXOT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 213.11650692 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H16FNO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 213.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CC1=CC(=C(C=C1OC)F)OC)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CC1=CC(=C(C=C1OC)F)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 2021.05.07 213.11650692 15 1 0 1 0 0 0 0 1 -1