N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide

C116H189F9N14O15S6-4 — CID 159551131

About N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide

N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 159551131) has the molecular formula C116H189F9N14O15S6-4 and a molecular weight of 2383.25 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
• PubChem CID: 159551131
• Molecular Formula: C116H189F9N14O15S6-4
• Molecular Weight: 2383.25 g/mol
• Exact Mass: 2381.27
• IUPAC Name: N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
• SMILES: CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(OC(F)(F)F)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccccc2F)CC1.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].C[C@@H]1CN(c2ccc(NCC3CCC(N)CC3)cc2F)C[C@H](C)O1.Cc1cc(NCC2CCC(N)CC2)ccc1N1C[C@@H](C)O[C@@H](C)C1.NC1CCC(CNc2c(F)cc(F)cc2F)CC1.NC1CCC(CNc2cccc(F)c2)CC1
• InChI: InChI=1S/C20H33N3O.C19H30FN3O.C18H27F3N2O3S.C17H27FN2O2S.C13H17F3N2.C13H19FN2.4C4H10O2S/c1-14-10-19(22-11-17-4-6-18(21)7-5-17)8-9-20(14)23-12-15(2)24-16(3)13-23;1-13-11-23(12-14(2)24-13)19-8-7-17(9-18(19)20)22-10-15-3-5-16(21)6-4-15;1-17(2,3)27(24,25)23-15-6-4-13(5-7-15)12-22-14-8-10-16(11-9-14)26-18(19,20)21;1-17(2,3)23(21,22)20-14-10-8-13(9-11-14)12-19-16-7-5-4-6-15(16)18;14-9-5-11(15)13(12(16)6-9)18-7-8-1-3-10(17)4-2-8;14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10;4*1-4(2,3)7(5)6/h8-10,15-18,22H,4-7,11-13,21H2,1-3H3;7-9,13-16,22H,3-6,10-12,21H2,1-2H3;8-11,13,15,22-23H,4-7,12H2,1-3H3;4-7,13-14,19-20H,8-12H2,1-3H3;5-6,8,10,18H,1-4,7,17H2;1-3,8,10,12,16H,4-7,9,15H2;4*1-3H3,(H,5,6)/p-4/t15-,16+,17?,18?;13-,14+,15?,16?
• InChIKey: JKJYABITODITLA-DULHNKATSA-J
• XLogP: 23.14
• TPSA: 463.29 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.25
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide?

The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide (CID 159551131) is N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide.

What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide?

The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(OC(F)(F)F)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccccc2F)CC1.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].C[C@@H]1CN(c2ccc(NCC3CCC(N)CC3)cc2F)C[C@H](C)O1.Cc1cc(NCC2CCC(N)CC2)ccc1N1C[C@@H](C)O[C@@H](C)C1.NC1CCC(CNc2c(F)cc(F)cc2F)CC1.NC1CCC(CNc2cccc(F)c2)CC1.

What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide?

The InChIKey is JKJYABITODITLA-DULHNKATSA-J. The full InChI is InChI=1S/C20H33N3O.C19H30FN3O.C18H27F3N2O3S.C17H27FN2O2S.C13H17F3N2.C13H19FN2.4C4H10O2S/c1-14-10-19(22-11-17-4-6-18(21)7-5-17)8-9-20(14)23-12-15(2)24-16(3)13-23;1-13-11-23(12-14(2)24-13)19-8-7-17(9-18(19)20)22-10-15-3-5-16(21)6-4-15;1-17(2,3)27(24,25)23-15-6-4-13(5-7-15)12-22-14-8-10-16(11-9-14)26-18(19,20)21;1-17(2,3)23(21,22)20-14-10-8-13(9-11-14)12-19-16-7-5-4-6-15(16)18;14-9-5-11(15)13(12(16)6-9)18-7-8-1-3-10(17)4-2-8;14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10;4*1-4(2,3)7(5)6/h8-10,15-18,22H,4-7,11-13,21H2,1-3H3;7-9,13-16,22H,3-6,10-12,21H2,1-2H3;8-11,13,15,22-23H,4-7,12H2,1-3H3;4-7,13-14,19-20H,8-12H2,1-3H3;5-6,8,10,18H,1-4,7,17H2;1-3,8,10,12,16H,4-7,9,15H2;4*1-3H3,(H,5,6)/p-4/t15-,16+,17?,18?;13-,14+,15?,16?;;;;;;;;.

What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide?

N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 2383.25 g/mol, XLogP of 23.14, 25 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylaniline;N-[(4-aminocyclohexyl)methyl]-3-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-2,4,6-trifluoroaniline;N-[4-[(2-fluoroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;tetrakis(2-methylpropane-2-sulfinate);2-methyl-N-[4-[[4-(trifluoromethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 159551131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).