33363 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 8 7 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 2 2 3 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 11 11 13 13 13 14 15 15 16 16 17 17 18 19 20 20 20 17 20 12 14 4 5 21 22 6 23 24 9 25 26 7 8 10 27 11 28 29 30 31 12 32 12 33 14 15 16 34 18 35 19 36 18 19 37 38 39 40 41 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 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 2.866 3.732 4.5981 3.732 4.5981 3.732 4.5981 2.866 5.4641 4.5981 2.866 3.732 2.866 2.866 2 3.732 2.866 2 3.732 2 4.8101 5.2087 3.52 3.1215 4.386 3.9875 5.135 2.3291 5.7741 6.001 5.1541 5.135 2.3291 2.3291 1.4631 4.269 1.4631 4.269 1.69 1.4631 2.31 -5 -0.5 4 3.5 5 2.5 2 2 5.5 1 1 0.5 -2 -1 -2.5 -2.5 -4 -3.5 -3.5 -5.5 3.4174 4.1077 4.0826 3.3923 5.5826 4.8923 2.31 2.31 4.9631 5.81 6.0369 0.69 0.69 -0.69 -2.19 -2.19 -3.81 -3.81 -4.9631 -5.81 -6.0369 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 10 11 13 13 15 16 17 17 7 8 10 11 12 12 15 16 18 19 18 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 273 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A2000000000000000000000000000000000000000306000000000000000014000001E00000000000C0CC1980632C682000400A00234634400820800202200088800266C980C26A284B19B80302064C01108E80790C0800E28000000000000005000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-butylphenyl)-p-anisylidene-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FEIWNULTQYHCDN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 267.162314293 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H21NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 267.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 267.162314293 20 0 0 0 0 0 0 0 1 -1