60210725 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 17 7 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 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 4 3 20 21 4 5 6 7 13 14 15 16 17 18 19 8 9 10 22 11 23 12 24 12 25 26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 4 1 3 7 13 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 2 4.5981 3.732 2.866 3.232 4.232 2.866 2 3.732 2 3.732 2.866 2.3291 3.769 2.922 2.6951 3.6951 4.542 4.769 4.5981 5.135 1.4631 4.269 1.4631 4.269 2.866 1.19 1.69 1.19 0.69 2.056 0.324 -0.31 -0.81 -0.81 -1.81 -1.81 -2.31 0.38 2.366 2.593 1.746 0.014 -0.213 0.634 2.31 1.38 -0.5 -0.5 -2.12 -2.12 -2.93 3 8 8 8 8 8 8 4 7 7 8 9 10 11 1 8 9 10 11 12 12 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 139 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0720000040000000000000000000000000000000000300000000000000000010000001C02100000000C8B8118403200804000008002204200000200002000000888000002880820228191118020002090000888071080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-chloro-2-methyl-1-phenyl-propan-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-chloro-2-methyl-1-phenyl-2-propanamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-chloro-2-methyl-1-phenylpropan-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-chloro-2-methyl-1-phenylpropan-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-chloranyl-2-methyl-1-phenyl-propan-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-chloro-1,1-dimethyl-2-phenyl-ethyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H14ClN/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,9H,12H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FHHDYPZTOJAZGX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 183.0814771 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H14ClN Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 183.68 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C(C1=CC=CC=C1)Cl)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C(C1=CC=CC=C1)Cl)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 26 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 183.0814771 12 1 0 1 0 0 0 0 1 -1