5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol

C113H157BrCl2N20O35 — CID 165085323

About 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol

5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol (PubChem CID 165085323) has the molecular formula C113H157BrCl2N20O35 and a molecular weight of 2506.41 g/mol. Its IUPAC name is 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol.

Molecular Properties

• Compound Name: 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol
• PubChem CID: 165085323
• Molecular Formula: C113H157BrCl2N20O35
• Molecular Weight: 2506.41 g/mol
• Exact Mass: 2502.97
• IUPAC Name: 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol
• SMILES: CC(=O)c1ccc(O)c([N+](=O)[O-])c1.CC(C)(C)OC(=O)NCCO.CN(C(=O)OC(C)(C)C)c1cc(Cl)nn2c(C(=O)O)cnc12.COc1ccc(C(C)Br)cc1[N+](=O)[O-].COc1ccc(C(C)O)cc1[N+](=O)[O-].COc1ccc(C(C)OCCN)cc1N.COc1ccc(C(C)OCCNC(=O)OC(C)(C)C)cc1N.COc1ccc(C(C)OCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-].COc1ccc(C(C)OCCNC(=O)c2cnc3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn23)cc1N
• InChI: InChI=1S/C24H31ClN6O5.C16H24N2O6.C16H26N2O4.C13H15ClN4O4.C11H18N2O2.C9H10BrNO3.C9H11NO4.C8H7NO4.C7H15NO3/c1-14(15-7-8-19(34-6)16(26)11-15)35-10-9-27-22(32)18-13-28-21-17(12-20(25)29-31(18)21)30(5)23(33)36-24(2,3)4;1-11(23-9-8-17-15(19)24-16(2,3)4)12-6-7-14(22-5)13(10-12)18(20)21;1-11(12-6-7-14(20-5)13(17)10-12)21-9-8-18-15(19)22-16(2,3)4;1-13(2,3)22-12(21)17(4)7-5-9(14)16-18-8(11(19)20)6-15-10(7)18;1-8(15-6-5-12)9-3-4-11(14-2)10(13)7-9;1-6(10)7-3-4-9(14-2)8(5-7)11(12)13;1-6(11)7-3-4-9(14-2)8(5-7)10(12)13;1-5(10)6-2-3-8(11)7(4-6)9(12)13;1-7(2,3)11-6(10)8-4-5-9/h7-8,11-14H,9-10,26H2,1-6H3,(H,27,32);6-7,10-11H,8-9H2,1-5H3,(H,17,19);6-7,10-11H,8-9,17H2,1-5H3,(H,18,19);5-6H,1-4H3,(H,19,20);3-4,7-8H,5-6,12-13H2,1-2H3;3-6H,1-2H3;3-6,11H,1-2H3;2-4,11H,1H3;9H,4-5H2,1-3H3,(H,8,10)
• InChIKey: VUROOLQACBVGBC-UHFFFAOYSA-N
• XLogP: 20.43
• TPSA: 747.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 38
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2506.41
LogP ≤ 5	20.43
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol?

The IUPAC name of 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol (CID 165085323) is 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol.

What is the SMILES notation for 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol?

The canonical SMILES for 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol is CC(=O)c1ccc(O)c([N+](=O)[O-])c1.CC(C)(C)OC(=O)NCCO.CN(C(=O)OC(C)(C)C)c1cc(Cl)nn2c(C(=O)O)cnc12.COc1ccc(C(C)Br)cc1[N+](=O)[O-].COc1ccc(C(C)O)cc1[N+](=O)[O-].COc1ccc(C(C)OCCN)cc1N.COc1ccc(C(C)OCCNC(=O)OC(C)(C)C)cc1N.COc1ccc(C(C)OCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-].COc1ccc(C(C)OCCNC(=O)c2cnc3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn23)cc1N.

What is the InChIKey of 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol?

The InChIKey is VUROOLQACBVGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O5.C16H24N2O6.C16H26N2O4.C13H15ClN4O4.C11H18N2O2.C9H10BrNO3.C9H11NO4.C8H7NO4.C7H15NO3/c1-14(15-7-8-19(34-6)16(26)11-15)35-10-9-27-22(32)18-13-28-21-17(12-20(25)29-31(18)21)30(5)23(33)36-24(2,3)4;1-11(23-9-8-17-15(19)24-16(2,3)4)12-6-7-14(22-5)13(10-12)18(20)21;1-11(12-6-7-14(20-5)13(17)10-12)21-9-8-18-15(19)22-16(2,3)4;1-13(2,3)22-12(21)17(4)7-5-9(14)16-18-8(11(19)20)6-15-10(7)18;1-8(15-6-5-12)9-3-4-11(14-2)10(13)7-9;1-6(10)7-3-4-9(14-2)8(5-7)11(12)13;1-6(11)7-3-4-9(14-2)8(5-7)10(12)13;1-5(10)6-2-3-8(11)7(4-6)9(12)13;1-7(2,3)11-6(10)8-4-5-9/h7-8,11-14H,9-10,26H2,1-6H3,(H,27,32);6-7,10-11H,8-9H2,1-5H3,(H,17,19);6-7,10-11H,8-9,17H2,1-5H3,(H,18,19);5-6H,1-4H3,(H,19,20);3-4,7-8H,5-6,12-13H2,1-2H3;3-6H,1-2H3;3-6,11H,1-2H3;2-4,11H,1H3;9H,4-5H2,1-3H3,(H,8,10).

What are the key properties of 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol?

5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol has a molecular weight of 2506.41 g/mol, XLogP of 20.43, 38 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-aminoethoxy)ethyl]-2-methoxyaniline;4-(1-bromoethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethyl]carbamate;tert-butyl N-[3-[2-[1-(3-amino-4-methoxyphenyl)ethoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[1-(4-methoxy-3-nitrophenyl)ethoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(4-hydroxy-3-nitrophenyl)ethanone;1-(4-methoxy-3-nitrophenyl)ethanol is sourced from PubChem (CID 165085323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).