70278160 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 17 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 6 6 6 7 7 7 8 8 9 9 10 10 11 4 18 19 5 10 5 6 7 8 12 13 14 15 16 17 9 20 11 21 11 22 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 3 3 3.866 3 3 2 4 2.134 2.134 3.866 3 2 1.38 2 4 4.62 4 2.4631 3.5369 1.597 1.597 4.403 2.655 -2.345 0.155 -1.345 -0.345 -1.345 -1.345 0.155 1.155 1.155 1.655 -0.725 -1.345 -1.965 -1.965 -1.345 -0.725 -2.655 -2.655 -0.155 1.465 1.465 8 8 8 8 8 8 3 3 5 8 9 10 5 10 8 9 11 11 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 136 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07300000400000000000000000000000000000000002C0000000000000000018000001C02100000000C8AC116243E8092481000A0013467440082802031072008D8203866980860E2C19391D42008609000C8C8071080400C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloro-2-pyridyl)propan-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloro-2-pyridinyl)-2-propanamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloropyridin-2-yl)propan-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloropyridin-2-yl)propan-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-chloranylpyridin-2-yl)propan-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(5-chloro-2-pyridyl)-1-methyl-ethyl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H11ClN2/c1-8(2,10)7-4-3-6(9)5-11-7/h3-5H,10H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GNGYGSQHCMMREN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.0610761 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H11ClN2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.64 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C1=NC=C(C=C1)Cl)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C1=NC=C(C=C1)Cl)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.0610761 11 0 0 0 0 0 0 0 1 -1