69973383 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 38 39 40 41 42 43 44 45 46 8 8 7 7 6 6 6 6 6 6 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 1 2 2 3 3 3 4 4 5 5 5 5 6 6 7 8 8 8 9 9 10 10 10 11 12 12 13 14 14 15 15 16 16 17 17 18 19 20 20 21 21 22 22 23 24 24 24 9 16 19 24 6 8 31 7 11 6 7 25 26 27 28 12 9 29 30 32 33 11 13 14 15 13 34 35 17 36 18 37 19 20 18 38 39 21 22 40 23 41 23 42 43 44 45 46 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 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 38 39 40 41 42 43 44 45 46 10.7282 10.7282 8.1301 4.666 6.3981 7.2641 5.5321 8.9962 9.8622 3.8 3.8 5.5321 4.666 2.9061 2.9061 11.5942 2 2 11.5942 12.4603 12.4603 13.3263 13.3263 10.7282 5.9996 6.7966 7.6626 6.8656 9.3947 8.5976 8.1301 9.4637 10.2607 6.069 4.666 2.9132 2.9132 1.4643 1.4643 12.4603 12.4603 13.8632 13.8632 10.1082 10.7282 11.3482 0.7327 -1.2673 0.2327 0.2327 0.2327 0.7327 0.7327 0.7327 0.2327 1.7327 0.7327 1.7327 2.2327 2.2673 0.198 0.2327 1.7535 0.7119 -0.7673 0.7327 -1.2673 0.2327 -0.7673 -2.2673 -0.2423 -0.2423 1.2076 1.2076 1.2076 1.2076 -0.3873 -0.2423 -0.2423 2.0427 2.8527 2.8873 -0.422 2.0656 0.3998 1.3527 -1.8873 0.5427 -1.0773 -2.2673 -2.8873 -2.2673 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 10 10 10 11 12 14 15 16 16 17 19 20 21 22 7 11 12 11 13 14 15 13 17 18 19 20 18 21 22 23 23 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 353 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C6080000000000000B1F400001E00100000000C0CE19E0632C6F2C81400A003246244008288202122200898A03EEC980F26E2C4F19B87382AE4D011DAE80790C0C00E00000000000240000000000000048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(2-methoxyphenoxy)ethyl]-2-(2-quinolyl)ethanamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(2-methoxyphenoxy)ethyl]-2-(2-quinolinyl)ethanamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(2-methoxyphenoxy)ethyl]-2-quinolin-2-ylethanamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(2-methoxyphenoxy)ethyl]-2-quinolin-2-ylethanamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(2-methoxyphenoxy)ethyl]-2-quinolin-2-yl-ethanamine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methoxyphenoxy)ethyl-[2-(2-quinolyl)ethyl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H22N2O2/c1-23-19-8-4-5-9-20(19)24-15-14-21-13-12-17-11-10-16-6-2-3-7-18(16)22-17/h2-11,21H,12-15H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SDNAETCROAHVOE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.168127949 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H22N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1OCCNCCC2=NC3=CC=CC=C3C=C2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1OCCNCCC2=NC3=CC=CC=C3C=C2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 43.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.168127949 24 0 0 0 0 0 0 0 1 -1