2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride

C107H146BrCl3N20O36 — CID 164993658

About 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride

2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride (PubChem CID 164993658) has the molecular formula C107H146BrCl3N20O36 and a molecular weight of 2474.71 g/mol. Its IUPAC name is 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride.

Molecular Properties

• Compound Name: 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride
• PubChem CID: 164993658
• Molecular Formula: C107H146BrCl3N20O36
• Molecular Weight: 2474.71 g/mol
• Exact Mass: 2470.85
• IUPAC Name: 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride
• SMILES: CC(C)(C)OC(=O)NCCO.CN(C(=O)OC(C)(C)C)c1cc(Cl)nn2c(C(=O)O)cnc12.COc1cccc(C(=O)O)c1[N+](=O)[O-].COc1cccc(CBr)c1[N+](=O)[O-].COc1cccc(CO)c1[N+](=O)[O-].COc1cccc(COCCN)c1N.COc1cccc(COCCNC(=O)OC(C)(C)C)c1N.COc1cccc(COCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-].COc1cccc(COCCNC(=O)c2cnc3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn23)c1N.Cl
• InChI: InChI=1S/C23H29ClN6O5.C15H22N2O6.C15H24N2O4.C13H15ClN4O4.C10H16N2O2.C8H8BrNO3.C8H7NO5.C8H9NO4.C7H15NO3.ClH/c1-23(2,3)35-22(32)29(4)15-11-18(24)28-30-16(12-27-20(15)30)21(31)26-9-10-34-13-14-7-6-8-17(33-5)19(14)25;1-15(2,3)23-14(18)16-8-9-22-10-11-6-5-7-12(21-4)13(11)17(19)20;1-15(2,3)21-14(18)17-8-9-20-10-11-6-5-7-12(19-4)13(11)16;1-13(2,3)22-12(21)17(4)7-5-9(14)16-18-8(11(19)20)6-15-10(7)18;1-13-9-4-2-3-8(10(9)12)7-14-6-5-11;1-13-7-4-2-3-6(5-9)8(7)10(11)12;1-14-6-4-2-3-5(8(10)11)7(6)9(12)13;1-13-7-4-2-3-6(5-10)8(7)9(11)12;1-7(2,3)11-6(10)8-4-5-9;/h6-8,11-12H,9-10,13,25H2,1-5H3,(H,26,31);5-7H,8-10H2,1-4H3,(H,16,18);5-7H,8-10,16H2,1-4H3,(H,17,18);5-6H,1-4H3,(H,19,20);2-4H,5-7,11-12H2,1H3;2-4H,5H2,1H3;2-4H,1H3,(H,10,11);2-4,10H,5H2,1H3;9H,4-5H2,1-3H3,(H,8,10);1H
• InChIKey: IIYNCJLWGKHGDN-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 756.78 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 39
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2474.71
LogP ≤ 5	17.28
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 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride?

The IUPAC name of 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride (CID 164993658) is 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride.

What is the SMILES notation for 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride?

The canonical SMILES for 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride is CC(C)(C)OC(=O)NCCO.CN(C(=O)OC(C)(C)C)c1cc(Cl)nn2c(C(=O)O)cnc12.COc1cccc(C(=O)O)c1[N+](=O)[O-].COc1cccc(CBr)c1[N+](=O)[O-].COc1cccc(CO)c1[N+](=O)[O-].COc1cccc(COCCN)c1N.COc1cccc(COCCNC(=O)OC(C)(C)C)c1N.COc1cccc(COCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-].COc1cccc(COCCNC(=O)c2cnc3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn23)c1N.Cl.

What is the InChIKey of 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride?

The InChIKey is IIYNCJLWGKHGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O5.C15H22N2O6.C15H24N2O4.C13H15ClN4O4.C10H16N2O2.C8H8BrNO3.C8H7NO5.C8H9NO4.C7H15NO3.ClH/c1-23(2,3)35-22(32)29(4)15-11-18(24)28-30-16(12-27-20(15)30)21(31)26-9-10-34-13-14-7-6-8-17(33-5)19(14)25;1-15(2,3)23-14(18)16-8-9-22-10-11-6-5-7-12(21-4)13(11)17(19)20;1-15(2,3)21-14(18)17-8-9-20-10-11-6-5-7-12(19-4)13(11)16;1-13(2,3)22-12(21)17(4)7-5-9(14)16-18-8(11(19)20)6-15-10(7)18;1-13-9-4-2-3-8(10(9)12)7-14-6-5-11;1-13-7-4-2-3-6(5-9)8(7)10(11)12;1-14-6-4-2-3-5(8(10)11)7(6)9(12)13;1-13-7-4-2-3-6(5-10)8(7)9(11)12;1-7(2,3)11-6(10)8-4-5-9;/h6-8,11-12H,9-10,13,25H2,1-5H3,(H,26,31);5-7H,8-10H2,1-4H3,(H,16,18);5-7H,8-10,16H2,1-4H3,(H,17,18);5-6H,1-4H3,(H,19,20);2-4H,5-7,11-12H2,1H3;2-4H,5H2,1H3;2-4H,1H3,(H,10,11);2-4,10H,5H2,1H3;9H,4-5H2,1-3H3,(H,8,10);1H.

What are the key properties of 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride?

2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride has a molecular weight of 2474.71 g/mol, XLogP of 17.28, 39 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride is sourced from PubChem (CID 164993658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).