9986 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 9 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 9 9 10 10 11 3 20 21 4 6 12 5 13 14 7 8 15 16 17 9 18 10 19 11 22 11 23 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 3 2 4 6 12 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 2.866 3.732 3.732 2.866 2.866 4.5981 2 3.732 2 3.732 2.866 4.4682 2.654 2.2554 4.2881 5.135 4.9081 1.4631 4.269 4.269 3.1951 1.4631 4.269 -2.905 2.595 1.595 1.095 0.095 1.095 -0.405 -0.405 -1.405 -1.405 -1.905 2.02 1.6776 0.9873 0.5581 0.785 1.6319 -0.095 -0.095 2.905 2.905 -1.715 -1.715 3 8 8 8 8 8 8 3 5 5 7 8 9 10 12 7 8 9 10 11 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 108 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0720100000000000000000000000000000000000000300000000000000000010000001D00100000000C28C1180C3200804000008002204200000200002000000888800000880820228091118020002090000888071080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(4-fluorophenyl)propan-2-amine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(4-fluorophenyl)-2-propanamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(4-fluorophenyl)propan-2-amine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(4-fluorophenyl)propan-2-amine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 [2-(4-fluorophenyl)-1-methyl-ethyl]amine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C9H12FN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DGXWNDGLEOIEGT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 153.095378 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C9H12FN Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 153.196683 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(CC1=CC=C(C=C1)F)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(CC1=CC=C(C=C1)F)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 26 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 153.095378 11 1 0 1 0 0 0 0 1 1