3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine

C326H330ClF9N48O14S2 — CID 163565754

IUPAC3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCN(C)CCCCc1ccc(CNCCN(C)C)cc1.COCc1ccc(CNc2ncccn2)cc1.COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1.Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1.FCc1ccc(CNc2ncccn2)cc1.Fc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1.Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1.Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1.Fc1ccccc1NCc1ccc(CNc2ccccc2F)cc1.O=C(O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1.O=C=O.OCc1ccc(CNc2ccc(F)cn2)cc1.c1cc(CCCc2ccc(CNCc3ccncc3)cc2)ccn1.c1ccc(CCCc2ccc(CNCc3ccccn3)cc2)nc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1.c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1.c1ccc(OCc2ccc(COc3ccccn3)cc2)nc1.c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1
InChIInChI=1S/C22H24N2O2.2C21H23N3.C21H20N2O2.2C20H18F2N2.C20H18O2.C20H18S2.C18H16F2N4.C18H17N3O.C18H16N2O2.C17H16ClN5.C17H16FN5.C17H16N4O.C17H31N3.C13H13FN2O.C13H15N3O.C12H12FN3.CO2/c1-25-21-9-5-3-7-19(21)23-15-17-11-13-18(14-12-17)16-24-20-8-4-6-10-22(20)26-2;1-3-14-23-20(7-1)9-5-6-18-10-12-19(13-11-18)16-22-17-21-8-2-4-15-24-21;1(3-19-8-12-22-13-9-19)2-18-4-6-20(7-5-18)16-24-17-21-10-14-23-15-11-21;24-21(25)18-5-4-8-20(13-18)23-15-17-11-9-16(10-12-17)14-22-19-6-2-1-3-7-19;21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20;21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22;2*1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18;1-2-5-17(6-3-1)22-14-16-9-7-15(8-10-16)13-21-18-19-11-4-12-20-18;1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18;2*18-15-3-1-4-16(23-15)21-11-13-5-7-14(8-6-13)12-22-17-19-9-2-10-20-17;1-2-9-18-16(4-1)22-13-15-7-5-14(6-8-15)12-21-17-19-10-3-11-20-17;1-19(2)13-6-5-7-16-8-10-17(11-9-16)15-18-12-14-20(3)4;14-12-5-6-13(16-8-12)15-7-10-1-3-11(9-17)4-2-10;1-17-10-12-5-3-11(4-6-12)9-16-13-14-7-2-8-15-13;13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12;2-1-3/h3-14,23-24H,15-16H2,1-2H3;1-4,7-8,10-15,22H,5-6,9,16-17H2;4-15,24H,1-3,16-17H2;1-13,22-23H,14-15H2,(H,24,25);2*1-12,23-24H,13-14H2;2*1-14H,15-16H2;1-8,11-12H,9-10H2,(H,21,23)(H,22,24);1-12H,13-14H2,(H,19,20,21);1-12H,13-14H2;2*1-10H,11-12H2,(H,21,23)(H,19,20,22);1-11H,12-13H2,(H,19,20,21);8-11,18H,5-7,12-15H2,1-4H3;1-6,8,17H,7,9H2,(H,15,16);2-8H,9-10H2,1H3,(H,14,15,16);1-7H,8-9H2,(H,14,15,16);
InChIKeyFVAOSFLZKOVXRZ-UHFFFAOYSA-N
MW5415.12 g/mol
LogP69.00
Rot. Bonds114

About 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine

3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 163565754) has the molecular formula C326H330ClF9N48O14S2 and a molecular weight of 5415.12 g/mol. Its IUPAC name is 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID163565754
Molecular FormulaC326H330ClF9N48O14S2
Molecular Weight5415.12 g/mol
Exact Mass5410.56
IUPAC Name3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCN(C)CCCCc1ccc(CNCCN(C)C)cc1.COCc1ccc(CNc2ncccn2)cc1.COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1.Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1.FCc1ccc(CNc2ncccn2)cc1.Fc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1.Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1.Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1.Fc1ccccc1NCc1ccc(CNc2ccccc2F)cc1.O=C(O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1.O=C=O.OCc1ccc(CNc2ccc(F)cn2)cc1.c1cc(CCCc2ccc(CNCc3ccncc3)cc2)ccn1.c1ccc(CCCc2ccc(CNCc3ccccn3)cc2)nc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1.c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1.c1ccc(OCc2ccc(COc3ccccn3)cc2)nc1.c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1
InChIInChI=1S/C22H24N2O2.2C21H23N3.C21H20N2O2.2C20H18F2N2.C20H18O2.C20H18S2.C18H16F2N4.C18H17N3O.C18H16N2O2.C17H16ClN5.C17H16FN5.C17H16N4O.C17H31N3.C13H13FN2O.C13H15N3O.C12H12FN3.CO2/c1-25-21-9-5-3-7-19(21)23-15-17-11-13-18(14-12-17)16-24-20-8-4-6-10-22(20)26-2;1-3-14-23-20(7-1)9-5-6-18-10-12-19(13-11-18)16-22-17-21-8-2-4-15-24-21;1(3-19-8-12-22-13-9-19)2-18-4-6-20(7-5-18)16-24-17-21-10-14-23-15-11-21;24-21(25)18-5-4-8-20(13-18)23-15-17-11-9-16(10-12-17)14-22-19-6-2-1-3-7-19;21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20;21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22;2*1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18;1-2-5-17(6-3-1)22-14-16-9-7-15(8-10-16)13-21-18-19-11-4-12-20-18;1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18;2*18-15-3-1-4-16(23-15)21-11-13-5-7-14(8-6-13)12-22-17-19-9-2-10-20-17;1-2-9-18-16(4-1)22-13-15-7-5-14(6-8-15)12-21-17-19-10-3-11-20-17;1-19(2)13-6-5-7-16-8-10-17(11-9-16)15-18-12-14-20(3)4;14-12-5-6-13(16-8-12)15-7-10-1-3-11(9-17)4-2-10;1-17-10-12-5-3-11(4-6-12)9-16-13-14-7-2-8-15-13;13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12;2-1-3/h3-14,23-24H,15-16H2,1-2H3;1-4,7-8,10-15,22H,5-6,9,16-17H2;4-15,24H,1-3,16-17H2;1-13,22-23H,14-15H2,(H,24,25);2*1-12,23-24H,13-14H2;2*1-14H,15-16H2;1-8,11-12H,9-10H2,(H,21,23)(H,22,24);1-12H,13-14H2,(H,19,20,21);1-12H,13-14H2;2*1-10H,11-12H2,(H,21,23)(H,19,20,22);1-11H,12-13H2,(H,19,20,21);8-11,18H,5-7,12-15H2,1-4H3;1-6,8,17H,7,9H2,(H,15,16);2-8H,9-10H2,1H3,(H,14,15,16);1-7H,8-9H2,(H,14,15,16);
InChIKeyFVAOSFLZKOVXRZ-UHFFFAOYSA-N
XLogP69.00
TPSA755.24 Ų
H-Bond Donors24
H-Bond Acceptors63
Rotatable Bonds114
Heavy Atoms400
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005415.12
LogP ≤ 569.00
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1063

Analyze 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine (CID 163565754) is 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine is CN(C)CCCCc1ccc(CNCCN(C)C)cc1.COCc1ccc(CNc2ncccn2)cc1.COc1ccccc1NCc1ccc(CNc2ccccc2OC)cc1.Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1.FCc1ccc(CNc2ncccn2)cc1.Fc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1.Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1.Fc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1.Fc1ccccc1NCc1ccc(CNc2ccccc2F)cc1.O=C(O)c1cccc(NCc2ccc(CNc3ccccc3)cc2)c1.O=C=O.OCc1ccc(CNc2ccc(F)cn2)cc1.c1cc(CCCc2ccc(CNCc3ccncc3)cc2)ccn1.c1ccc(CCCc2ccc(CNCc3ccccn3)cc2)nc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1.c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1.c1ccc(OCc2ccc(COc3ccccn3)cc2)nc1.c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is FVAOSFLZKOVXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2.2C21H23N3.C21H20N2O2.2C20H18F2N2.C20H18O2.C20H18S2.C18H16F2N4.C18H17N3O.C18H16N2O2.C17H16ClN5.C17H16FN5.C17H16N4O.C17H31N3.C13H13FN2O.C13H15N3O.C12H12FN3.CO2/c1-25-21-9-5-3-7-19(21)23-15-17-11-13-18(14-12-17)16-24-20-8-4-6-10-22(20)26-2;1-3-14-23-20(7-1)9-5-6-18-10-12-19(13-11-18)16-22-17-21-8-2-4-15-24-21;1(3-19-8-12-22-13-9-19)2-18-4-6-20(7-5-18)16-24-17-21-10-14-23-15-11-21;24-21(25)18-5-4-8-20(13-18)23-15-17-11-9-16(10-12-17)14-22-19-6-2-1-3-7-19;21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20;21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22;2*1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18;1-2-5-17(6-3-1)22-14-16-9-7-15(8-10-16)13-21-18-19-11-4-12-20-18;1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18;2*18-15-3-1-4-16(23-15)21-11-13-5-7-14(8-6-13)12-22-17-19-9-2-10-20-17;1-2-9-18-16(4-1)22-13-15-7-5-14(6-8-15)12-21-17-19-10-3-11-20-17;1-19(2)13-6-5-7-16-8-10-17(11-9-16)15-18-12-14-20(3)4;14-12-5-6-13(16-8-12)15-7-10-1-3-11(9-17)4-2-10;1-17-10-12-5-3-11(4-6-12)9-16-13-14-7-2-8-15-13;13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12;2-1-3/h3-14,23-24H,15-16H2,1-2H3;1-4,7-8,10-15,22H,5-6,9,16-17H2;4-15,24H,1-3,16-17H2;1-13,22-23H,14-15H2,(H,24,25);2*1-12,23-24H,13-14H2;2*1-14H,15-16H2;1-8,11-12H,9-10H2,(H,21,23)(H,22,24);1-12H,13-14H2,(H,19,20,21);1-12H,13-14H2;2*1-10H,11-12H2,(H,21,23)(H,19,20,22);1-11H,12-13H2,(H,19,20,21);8-11,18H,5-7,12-15H2,1-4H3;1-6,8,17H,7,9H2,(H,15,16);2-8H,9-10H2,1H3,(H,14,15,16);1-7H,8-9H2,(H,14,15,16);.
What are the key properties of 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?
3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 5415.12 g/mol, XLogP of 69.00, 114 rotatable bonds, 24 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(anilinomethyl)phenyl]methylamino]benzoic acid;1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;carbon dioxide;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-[[4-[4-(dimethylamino)butyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine;2-fluoro-N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]aniline;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;N-[[4-(fluoromethyl)phenyl]methyl]pyrimidin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;2-methoxy-N-[[4-[(2-methoxyanilino)methyl]phenyl]methyl]aniline;N-[[4-(methoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-[[4-(phenoxymethyl)phenyl]methyl]pyrimidin-2-amine;N-(pyridin-2-ylmethyl)-1-[4-(3-pyridin-2-ylpropyl)phenyl]methanamine;N-(pyridin-4-ylmethyl)-1-[4-(3-pyridin-4-ylpropyl)phenyl]methanamine;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 163565754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).