N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline

C134H193F4N14O15S7-5 — CID 159020985

About N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline

N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline (PubChem CID 159020985) has the molecular formula C134H193F4N14O15S7-5 and a molecular weight of 2540.56 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline.

Molecular Properties

• Compound Name: N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline
• PubChem CID: 159020985
• Molecular Formula: C134H193F4N14O15S7-5
• Molecular Weight: 2540.56 g/mol
• Exact Mass: 2538.28
• IUPAC Name: N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline
• SMILES: CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CC1NCc1ccc(N)cc1.CC1CCC(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)CC1.CC1Cc2cc(NCc3ccc(N)cc3)ccc2C1C.COc1ccc(NCc2ccc(N)cc2)c(C)c1.Cc1cc(C(F)(F)F)ccc1CNCc1ccc(N)cc1.Cc1cc(F)ccc1NCc1ccc(N)cc1.Cc1cc2c(c(NCc3ccc(NS(=O)(=O)C(C)(C)C)cc3)c1)CCCC2
• InChI: InChI=1S/C22H30N2O2S.C18H30N2O2S.C18H22N2.C16H17F3N2.C15H18N2O.C14H15FN2.C11H16N2.5C4H10O2S/c1-16-13-18-7-5-6-8-20(18)21(14-16)23-15-17-9-11-19(12-10-17)24-27(25,26)22(2,3)4;1-14-5-9-16(10-6-14)19-13-15-7-11-17(12-8-15)20-23(21,22)18(2,3)4;1-12-9-15-10-17(7-8-18(15)13(12)2)20-11-14-3-5-16(19)6-4-14;1-11-8-14(16(17,18)19)5-4-13(11)10-21-9-12-2-6-15(20)7-3-12;1-11-9-14(18-2)7-8-15(11)17-10-12-3-5-13(16)6-4-12;1-10-8-12(15)4-7-14(10)17-9-11-2-5-13(16)6-3-11;1-8-6-11(8)13-7-9-2-4-10(12)5-3-9;5*1-4(2,3)7(5)6/h9-14,23-24H,5-8,15H2,1-4H3;7-8,11-12,14,16,19-20H,5-6,9-10,13H2,1-4H3;3-8,10,12-13,20H,9,11,19H2,1-2H3;2-8,21H,9-10,20H2,1H3;3-9,17H,10,16H2,1-2H3;2-8,17H,9,16H2,1H3;2-5,8,11,13H,6-7,12H2,1H3;5*1-3H3,(H,5,6)/p-5
• InChIKey: YPVKTBJNQSZLSJ-UHFFFAOYSA-I
• XLogP: 28.60
• TPSA: 516.53 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2540.56
LogP ≤ 5	28.60
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

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]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline?

The IUPAC name of N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline (CID 159020985) is N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline.

What is the SMILES notation for N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline?

The canonical SMILES for N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CC1NCc1ccc(N)cc1.CC1CCC(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)CC1.CC1Cc2cc(NCc3ccc(N)cc3)ccc2C1C.COc1ccc(NCc2ccc(N)cc2)c(C)c1.Cc1cc(C(F)(F)F)ccc1CNCc1ccc(N)cc1.Cc1cc(F)ccc1NCc1ccc(N)cc1.Cc1cc2c(c(NCc3ccc(NS(=O)(=O)C(C)(C)C)cc3)c1)CCCC2.

What is the InChIKey of N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline?

The InChIKey is YPVKTBJNQSZLSJ-UHFFFAOYSA-I. The full InChI is InChI=1S/C22H30N2O2S.C18H30N2O2S.C18H22N2.C16H17F3N2.C15H18N2O.C14H15FN2.C11H16N2.5C4H10O2S/c1-16-13-18-7-5-6-8-20(18)21(14-16)23-15-17-9-11-19(12-10-17)24-27(25,26)22(2,3)4;1-14-5-9-16(10-6-14)19-13-15-7-11-17(12-8-15)20-23(21,22)18(2,3)4;1-12-9-15-10-17(7-8-18(15)13(12)2)20-11-14-3-5-16(19)6-4-14;1-11-8-14(16(17,18)19)5-4-13(11)10-21-9-12-2-6-15(20)7-3-12;1-11-9-14(18-2)7-8-15(11)17-10-12-3-5-13(16)6-4-12;1-10-8-12(15)4-7-14(10)17-9-11-2-5-13(16)6-3-11;1-8-6-11(8)13-7-9-2-4-10(12)5-3-9;5*1-4(2,3)7(5)6/h9-14,23-24H,5-8,15H2,1-4H3;7-8,11-12,14,16,19-20H,5-6,9-10,13H2,1-4H3;3-8,10,12-13,20H,9,11,19H2,1-2H3;2-8,21H,9-10,20H2,1H3;3-9,17H,10,16H2,1-2H3;2-8,17H,9,16H2,1H3;2-5,8,11,13H,6-7,12H2,1H3;5*1-3H3,(H,5,6)/p-5.

What are the key properties of N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline?

N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline has a molecular weight of 2540.56 g/mol, XLogP of 28.60, 27 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-aminophenyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminophenyl)methyl]-4-fluoro-2-methylaniline;N-[(4-aminophenyl)methyl]-4-methoxy-2-methylaniline;4-[[(2-methylcyclopropyl)amino]methyl]aniline;2-methyl-N-[4-[[(4-methylcyclohexyl)amino]methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[(3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]propane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate);4-[[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]methyl]aniline is sourced from PubChem (CID 159020985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).