N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate)

C123H160F10N13O13S7-3 — CID 159471572

About N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate)

N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate) (PubChem CID 159471572) has the molecular formula C123H160F10N13O13S7-3 and a molecular weight of 2443.16 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate).

Molecular Properties

• Compound Name: N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate)
• PubChem CID: 159471572
• Molecular Formula: C123H160F10N13O13S7-3
• Molecular Weight: 2443.16 g/mol
• Exact Mass: 2441.02
• IUPAC Name: N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate)
• SMILES: CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCc1cc(NCc2ccc(N)cc2)ccc1OC1CCCC1.CCc1cc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1C.Cc1cc(NS(=O)(=O)C(C)(C)C)c(C)cc1CNc1ccc(C(F)(F)F)cc1.Cc1csc(-c2ccc(NCc3ccc(N)cc3)c(C)c2)c1.Nc1ccc(CNc2ccc(F)cc2)cc1
• InChI: InChI=1S/2C20H25F3N2O2S.C20H26N2O.C19H24F3N3O2S.C19H20N2S.C13H13FN2.3C4H10O2S/c1-13-11-18(25-28(26,27)19(3,4)5)14(2)10-15(13)12-24-17-8-6-16(7-9-17)20(21,22)23;1-5-15-12-17(10-11-18(15)20(21,22)23)24-13-14-6-8-16(9-7-14)25-28(26,27)19(2,3)4;1-2-16-13-18(22-14-15-7-9-17(21)10-8-15)11-12-20(16)23-19-5-3-4-6-19;1-12-13(2)17(24-11-16(12)19(20,21)22)23-10-14-6-8-15(9-7-14)25-28(26,27)18(3,4)5;1-13-9-19(22-12-13)16-5-8-18(14(2)10-16)21-11-15-3-6-17(20)7-4-15;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;3*1-4(2,3)7(5)6/h6-11,24-25H,12H2,1-5H3;6-12,24-25H,5,13H2,1-4H3;7-13,19,22H,2-6,14,21H2,1H3;6-9,11,25H,10H2,1-5H3,(H,23,24);3-10,12,21H,11,20H2,1-2H3;1-8,16H,9,15H2;3*1-3H3,(H,5,6)/p-3
• InChIKey: BJGSOUNNOLUHRA-UHFFFAOYSA-K
• XLogP: 30.77
• TPSA: 431.26 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2443.16
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate)?

The IUPAC name of N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate) (CID 159471572) is N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate).

What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate)?

The canonical SMILES for N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCc1cc(NCc2ccc(N)cc2)ccc1OC1CCCC1.CCc1cc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1C.Cc1cc(NS(=O)(=O)C(C)(C)C)c(C)cc1CNc1ccc(C(F)(F)F)cc1.Cc1csc(-c2ccc(NCc3ccc(N)cc3)c(C)c2)c1.Nc1ccc(CNc2ccc(F)cc2)cc1.

What is the InChIKey of N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate)?

The InChIKey is BJGSOUNNOLUHRA-UHFFFAOYSA-K. The full InChI is InChI=1S/2C20H25F3N2O2S.C20H26N2O.C19H24F3N3O2S.C19H20N2S.C13H13FN2.3C4H10O2S/c1-13-11-18(25-28(26,27)19(3,4)5)14(2)10-15(13)12-24-17-8-6-16(7-9-17)20(21,22)23;1-5-15-12-17(10-11-18(15)20(21,22)23)24-13-14-6-8-16(9-7-14)25-28(26,27)19(2,3)4;1-2-16-13-18(22-14-15-7-9-17(21)10-8-15)11-12-20(16)23-19-5-3-4-6-19;1-12-13(2)17(24-11-16(12)19(20,21)22)23-10-14-6-8-15(9-7-14)25-28(26,27)18(3,4)5;1-13-9-19(22-12-13)16-5-8-18(14(2)10-16)21-11-15-3-6-17(20)7-4-15;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;3*1-4(2,3)7(5)6/h6-11,24-25H,12H2,1-5H3;6-12,24-25H,5,13H2,1-4H3;7-13,19,22H,2-6,14,21H2,1H3;6-9,11,25H,10H2,1-5H3,(H,23,24);3-10,12,21H,11,20H2,1-2H3;1-8,16H,9,15H2;3*1-3H3,(H,5,6)/p-3.

What are the key properties of N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate)?

N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate) has a molecular weight of 2443.16 g/mol, XLogP of 30.77, 29 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-aminophenyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[[3-ethyl-4-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tris(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 159471572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).