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

C117H149F10N13O13S7-4 — CID 158640688

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

N-[(4-aminophenyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]propane-2-sulfonamide;2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tetrakis(propane-2-sulfinate) (PubChem CID 158640688) has the molecular formula C117H149F10N13O13S7-4 and a molecular weight of 2360.01 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]propane-2-sulfonamide;2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tetrakis(propane-2-sulfinate).

Molecular Properties

• Compound Name: N-[(4-aminophenyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]propane-2-sulfonamide;2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tetrakis(propane-2-sulfinate)
• PubChem CID: 158640688
• Molecular Formula: C117H149F10N13O13S7-4
• Molecular Weight: 2360.01 g/mol
• Exact Mass: 2357.93
• IUPAC Name: N-[(4-aminophenyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]propane-2-sulfonamide;2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tetrakis(propane-2-sulfinate)
• SMILES: CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CCc1cc(NCc2ccc(N)cc2)ccc1C(F)(F)F.CCc1cc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)c1C.Cc1cc(CNc2ccc(C(F)(F)F)cc2)c(C)cc1N.Cc1csc(-c2ccc(NCc3ccc(N)cc3)c(C)c2)c1.Nc1ccc(CNc2ccc(F)cc2)cc1
• InChI: InChI=1S/C23H32N2O3S.C19H20N2S.C18H22F3N3O2S.2C16H17F3N2.C13H13FN2.4C3H8O2S/c1-4-19-15-21(13-14-23(19)28-22-7-5-6-8-22)24-16-18-9-11-20(12-10-18)25-29(26,27)17(2)3;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;1-11(2)27(25,26)24-15-7-5-14(6-8-15)9-22-17-13(4)12(3)16(10-23-17)18(19,20)21;1-10-8-15(20)11(2)7-12(10)9-21-14-5-3-13(4-6-14)16(17,18)19;1-2-12-9-14(7-8-15(12)16(17,18)19)21-10-11-3-5-13(20)6-4-11;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;4*1-3(2)6(4)5/h9-15,17,22,24-25H,4-8,16H2,1-3H3;3-10,12,21H,11,20H2,1-2H3;5-8,10-11,24H,9H2,1-4H3,(H,22,23);3-8,21H,9,20H2,1-2H3;3-9,21H,2,10,20H2,1H3;1-8,16H,9,15H2;4*3H,1-2H3,(H,4,5)/p-4
• InChIKey: GXXKQLSUOLOYTF-UHFFFAOYSA-J
• XLogP: 28.13
• TPSA: 451.24 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2360.01
LogP ≤ 5	28.13
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

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

The IUPAC name of N-[(4-aminophenyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]propane-2-sulfonamide;2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tetrakis(propane-2-sulfinate) (CID 158640688) is N-[(4-aminophenyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]propane-2-sulfonamide;2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tetrakis(propane-2-sulfinate).

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

The canonical SMILES for N-[(4-aminophenyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]propane-2-sulfonamide;2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tetrakis(propane-2-sulfinate) is CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CCc1cc(NCc2ccc(N)cc2)ccc1C(F)(F)F.CCc1cc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)c1C.Cc1cc(CNc2ccc(C(F)(F)F)cc2)c(C)cc1N.Cc1csc(-c2ccc(NCc3ccc(N)cc3)c(C)c2)c1.Nc1ccc(CNc2ccc(F)cc2)cc1.

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

The InChIKey is GXXKQLSUOLOYTF-UHFFFAOYSA-J. The full InChI is InChI=1S/C23H32N2O3S.C19H20N2S.C18H22F3N3O2S.2C16H17F3N2.C13H13FN2.4C3H8O2S/c1-4-19-15-21(13-14-23(19)28-22-7-5-6-8-22)24-16-18-9-11-20(12-10-18)25-29(26,27)17(2)3;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;1-11(2)27(25,26)24-15-7-5-14(6-8-15)9-22-17-13(4)12(3)16(10-23-17)18(19,20)21;1-10-8-15(20)11(2)7-12(10)9-21-14-5-3-13(4-6-14)16(17,18)19;1-2-12-9-14(7-8-15(12)16(17,18)19)21-10-11-3-5-13(20)6-4-11;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;4*1-3(2)6(4)5/h9-15,17,22,24-25H,4-8,16H2,1-3H3;3-10,12,21H,11,20H2,1-2H3;5-8,10-11,24H,9H2,1-4H3,(H,22,23);3-8,21H,9,20H2,1-2H3;3-9,21H,2,10,20H2,1H3;1-8,16H,9,15H2;4*3H,1-2H3,(H,4,5)/p-4.

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

N-[(4-aminophenyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]propane-2-sulfonamide;2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tetrakis(propane-2-sulfinate) has a molecular weight of 2360.01 g/mol, XLogP of 28.13, 33 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-aminophenyl)methyl]-3-ethyl-4-(trifluoromethyl)aniline;N-[(4-aminophenyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]propane-2-sulfonamide;2,5-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline;N-[4-[[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]propane-2-sulfonamide;4-[(4-fluoroanilino)methyl]aniline;tetrakis(propane-2-sulfinate) is sourced from PubChem (CID 158640688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).