22951 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 47 8 8 7 7 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 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 7 7 8 8 9 9 9 11 11 12 12 13 13 14 14 15 15 16 17 17 18 18 19 19 19 20 21 21 22 23 23 23 5 13 20 23 6 10 10 41 42 6 9 24 25 26 8 10 27 28 11 14 29 30 31 12 32 15 19 17 18 16 33 16 34 35 20 36 21 37 38 39 40 22 22 43 44 45 46 47 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 5 1 6 9 24 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 3.732 2 5.4641 4.5981 4.5981 4.5981 6.3301 6.3301 5.4641 5.4641 7.1962 7.1962 3.732 5.4641 6.3301 5.4641 2.866 4.5981 8.0622 2.866 4.5981 3.732 2 4.5981 4.386 3.9875 6.5422 6.9407 5.1541 6.001 5.7741 7.7331 4.9272 6.3301 4.9272 2.3291 5.135 8.3722 8.5991 7.7522 4.0611 4.5981 5.135 3.732 1.38 2 2.62 -1.25 -4.25 0.75 2.25 -0.75 0.25 2.25 3.25 -1.25 1.75 3.75 4.75 -2.25 3.75 5.25 4.75 -2.75 -2.75 5.25 -3.75 -3.75 -4.25 -5.25 -1.37 0.8326 0.1423 1.6674 2.3577 -1.7869 -1.56 -0.7131 3.44 3.44 5.87 5.06 -2.44 -2.44 4.7131 5.56 5.7869 1.94 2.87 -4.06 -4.87 -5.25 -5.87 -5.25 3 8 8 8 8 8 8 8 8 8 8 8 8 5 8 8 11 12 13 13 14 15 17 18 20 21 9 11 14 12 15 17 18 16 16 20 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 372 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00100000000C14E19806330682400400A002226224000208012020000888003608880E272284B11B833820A5D01508A80790E0CC0E00000208000000000000041000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-[2-(3-methoxyphenoxy)propyl]-2-(m-tolyl)acetamidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-[2-(3-methoxyphenoxy)propyl]-2-(3-methylphenyl)ethanimidamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>&apos;-[2-(3-methoxyphenoxy)propyl]-2-(3-methylphenyl)ethanimidamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-[2-(3-methoxyphenoxy)propyl]-2-(3-methylphenyl)ethanimidamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-[2-(3-methoxyphenoxy)propyl]-2-(3-methylphenyl)ethanimidamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-[2-(3-methoxyphenoxy)propyl]-2-(m-tolyl)acetamidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H24N2O2/c1-14-6-4-7-16(10-14)11-19(20)21-13-15(2)23-18-9-5-8-17(12-18)22-3/h4-10,12,15H,11,13H2,1-3H3,(H2,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JRYTUFKIORWTNI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.183778013 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H24N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC=C1)CC(=NCC(C)OC2=CC=CC(=C2)OC)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC=C1)CC(=NCC(C)OC2=CC=CC(=C2)OC)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 56.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.183778013 23 1 0 1 0 0 0 0 1 -1