magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide

C98H114Br3Cl2F14MgN25O15 — CID 162074588

About magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide

magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide (PubChem CID 162074588) has the molecular formula C98H114Br3Cl2F14MgN25O15 and a molecular weight of 2483.04 g/mol. Its IUPAC name is magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide.

Molecular Properties

• Compound Name: magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide
• PubChem CID: 162074588
• Molecular Formula: C98H114Br3Cl2F14MgN25O15
• Molecular Weight: 2483.04 g/mol
• Exact Mass: 2477.55
• IUPAC Name: magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide
• SMILES: CC(C)(C)C(=O)Cl.CC(C)(C)C(=O)Nc1ccccc1Br.CC(O)(c1ccccc1N)C(F)(F)F.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccccc2C(C)(O)C(F)(F)F)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccccc2C(C)(O)C(F)(F)F)n1.Nc1ccccc1Br.Nc1ccccc1C(=O)C(F)(F)F.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C24H29F3N8O4.C19H16F4N6O4.C11H14BrNO.C10H7ClFN5O3.C9H10F3NO.C8H6F3NO.C6H6BrN.C5H9ClO.C5H14N2.CH3.BrH.Mg/c1-23(36,24(25,26)27)15-8-6-7-9-16(15)30-21-28-14-29-22(32-21)31-17-12-19(35(37)38)18(13-20(17)39-5)34(4)11-10-33(2)3;1-18(30,19(21,22)23)10-5-3-4-6-12(10)26-16-24-9-25-17(28-16)27-13-8-14(29(31)32)11(20)7-15(13)33-2;1-11(2,3)10(14)13-9-7-5-4-6-8(9)12;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;1-8(14,9(10,11)12)6-4-2-3-5-7(6)13;9-8(10,11)7(13)5-3-1-2-4-6(5)12;7-5-3-1-2-4-6(5)8;1-5(2,3)4(6)7;1-6-4-5-7(2)3;;;/h6-9,12-14,36H,10-11H2,1-5H3,(H2,28,29,30,31,32);3-9,30H,1-2H3,(H2,24,25,26,27,28);4-7H,1-3H3,(H,13,14);2-4H,1H3,(H,13,14,15,16);2-5,14H,13H2,1H3;1-4H,12H2;1-4H,8H2;1-3H3;6H,4-5H2,1-3H3;1H3;1H;/q;;;;;;;;;-1;;+2/p-1
• InChIKey: MZGGLANHEPVWKH-UHFFFAOYSA-M
• XLogP: 18.71
• TPSA: 557.01 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.04
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide?

The IUPAC name of magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide (CID 162074588) is magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide.

What is the SMILES notation for magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide?

The canonical SMILES for magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide is CC(C)(C)C(=O)Cl.CC(C)(C)C(=O)Nc1ccccc1Br.CC(O)(c1ccccc1N)C(F)(F)F.CNCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccccc2C(C)(O)C(F)(F)F)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccccc2C(C)(O)C(F)(F)F)n1.Nc1ccccc1Br.Nc1ccccc1C(=O)C(F)(F)F.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide?

The InChIKey is MZGGLANHEPVWKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H29F3N8O4.C19H16F4N6O4.C11H14BrNO.C10H7ClFN5O3.C9H10F3NO.C8H6F3NO.C6H6BrN.C5H9ClO.C5H14N2.CH3.BrH.Mg/c1-23(36,24(25,26)27)15-8-6-7-9-16(15)30-21-28-14-29-22(32-21)31-17-12-19(35(37)38)18(13-20(17)39-5)34(4)11-10-33(2)3;1-18(30,19(21,22)23)10-5-3-4-6-12(10)26-16-24-9-25-17(28-16)27-13-8-14(29(31)32)11(20)7-15(13)33-2;1-11(2,3)10(14)13-9-7-5-4-6-8(9)12;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;1-8(14,9(10,11)12)6-4-2-3-5-7(6)13;9-8(10,11)7(13)5-3-1-2-4-6(5)12;7-5-3-1-2-4-6(5)8;1-5(2,3)4(6)7;1-6-4-5-7(2)3;;;/h6-9,12-14,36H,10-11H2,1-5H3,(H2,28,29,30,31,32);3-9,30H,1-2H3,(H2,24,25,26,27,28);4-7H,1-3H3,(H,13,14);2-4H,1H3,(H,13,14,15,16);2-5,14H,13H2,1H3;1-4H,12H2;1-4H,8H2;1-3H3;6H,4-5H2,1-3H3;1H3;1H;/q;;;;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide?

magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide has a molecular weight of 2483.04 g/mol, XLogP of 18.71, 28 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1-(2-aminophenyl)-2,2,2-trifluoroethanone;2-(2-aminophenyl)-1,1,1-trifluoropropan-2-ol;2-bromoaniline;N-(2-bromophenyl)-2,2-dimethylpropanamide;carbanide;4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2,2-dimethylpropanoyl chloride;1,1,1-trifluoro-2-[2-[[4-(4-fluoro-2-methoxy-5-nitroanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;N,N',N'-trimethylethane-1,2-diamine;bromide is sourced from PubChem (CID 162074588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).