4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane

C173H155F21N18O17S — CID 162199621

About 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane

4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane (PubChem CID 162199621) has the molecular formula C173H155F21N18O17S and a molecular weight of 3189.28 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane.

Molecular Properties

• Compound Name: 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane
• PubChem CID: 162199621
• Molecular Formula: C173H155F21N18O17S
• Molecular Weight: 3189.28 g/mol
• Exact Mass: 3187.12
• IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane
• SMILES: C.C.Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Cc1cc(Oc2ccc(N)cc2)c(C)c(C)c1Oc1ccc(N)cc1.Nc1ccc(OCOc2ccc(N)cc2)cc1.Nc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1.Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1.Nc1ccc(Oc2ccc(N)cc2C(F)(F)F)cc1.Nc1ccc(Oc2ccc(Oc3ccc(N)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1.Nc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1.Nc1cccc(Oc2ccccc2N)c1
• InChI: InChI=1S/C29H18F12N2O2.C25H20N2O3.C24H20N2O4S.C21H22N2O2.C20H14F6N2O2.C14H16N2.C13H11F3N2O.C13H14N2O2.C12H12N2O.2CH4/c30-26(31,32)21-13-17(42)5-11-23(21)44-19-7-1-15(2-8-19)25(28(36,37)38,29(39,40)41)16-3-9-20(10-4-16)45-24-12-6-18(43)14-22(24)27(33,34)35;26-19-5-13-23(14-6-19)29-21-9-1-17(2-10-21)25(28)18-3-11-22(12-4-18)30-24-15-7-20(27)8-16-24;25-17-3-1-5-21(15-17)29-19-7-11-23(12-8-19)31(27,28)24-13-9-20(10-14-24)30-22-6-2-4-18(26)16-22;1-13-12-20(24-18-8-4-16(22)5-9-18)14(2)15(3)21(13)25-19-10-6-17(23)7-11-19;21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26;1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;14-13(15,16)11-7-9(18)3-6-12(11)19-10-4-1-8(17)2-5-10;14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14;;/h1-14H,42-43H2;1-16H,26-27H2;1-16H,25-26H2;4-12H,22-23H2,1-3H3;1-10H,27-28H2;3-8H,15-16H2,1-2H3;1-7H,17-18H2;1-8H,9,14-15H2;1-8H,13-14H2;2*1H4
• InChIKey: ZRKGXAFLQQFHNS-UHFFFAOYSA-N
• XLogP: 45.63
• TPSA: 648.79 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3189.28
LogP ≤ 5	45.63
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane?

The IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane (CID 162199621) is 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane.

What is the SMILES notation for 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane?

The canonical SMILES for 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane is C.C.Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Cc1cc(Oc2ccc(N)cc2)c(C)c(C)c1Oc1ccc(N)cc1.Nc1ccc(OCOc2ccc(N)cc2)cc1.Nc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1.Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1.Nc1ccc(Oc2ccc(N)cc2C(F)(F)F)cc1.Nc1ccc(Oc2ccc(Oc3ccc(N)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1.Nc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1.Nc1cccc(Oc2ccccc2N)c1.

What is the InChIKey of 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane?

The InChIKey is ZRKGXAFLQQFHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F12N2O2.C25H20N2O3.C24H20N2O4S.C21H22N2O2.C20H14F6N2O2.C14H16N2.C13H11F3N2O.C13H14N2O2.C12H12N2O.2CH4/c30-26(31,32)21-13-17(42)5-11-23(21)44-19-7-1-15(2-8-19)25(28(36,37)38,29(39,40)41)16-3-9-20(10-4-16)45-24-12-6-18(43)14-22(24)27(33,34)35;26-19-5-13-23(14-6-19)29-21-9-1-17(2-10-21)25(28)18-3-11-22(12-4-18)30-24-15-7-20(27)8-16-24;25-17-3-1-5-21(15-17)29-19-7-11-23(12-8-19)31(27,28)24-13-9-20(10-14-24)30-22-6-2-4-18(26)16-22;1-13-12-20(24-18-8-4-16(22)5-9-18)14(2)15(3)21(13)25-19-10-6-17(23)7-11-19;21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26;1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;14-13(15,16)11-7-9(18)3-6-12(11)19-10-4-1-8(17)2-5-10;14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14;;/h1-14H,42-43H2;1-16H,26-27H2;1-16H,25-26H2;4-12H,22-23H2,1-3H3;1-10H,27-28H2;3-8H,15-16H2,1-2H3;1-7H,17-18H2;1-8H,9,14-15H2;1-8H,13-14H2;2*1H4.

What are the key properties of 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane?

4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane has a molecular weight of 3189.28 g/mol, XLogP of 45.63, 35 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-3-methylphenyl)-2-methylaniline;2-(3-aminophenoxy)aniline;4-[(4-aminophenoxy)methoxy]aniline;3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-(4-aminophenoxy)-3-(trifluoromethyl)aniline;4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline;4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[2-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline;bis[4-(4-aminophenoxy)phenyl]methanone;methane is sourced from PubChem (CID 162199621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).