2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole

C174H263Ar8Br2N23O9 — CID 162099520

About 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole

2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole (PubChem CID 162099520) has the molecular formula C174H263Ar8Br2N23O9 and a molecular weight of 3300.56 g/mol. Its IUPAC name is 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole
• PubChem CID: 162099520
• Molecular Formula: C174H263Ar8Br2N23O9
• Molecular Weight: 3300.56 g/mol
• Exact Mass: 3296.62
• IUPAC Name: 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole
• SMILES: C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)C(C)C.CC(C)CC(C)C.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccncc1C(C)C.CC(C)n1nnc2cc(-c3nc4ccccc4o3)ccc21.COc1cc(C)c(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccccc1N.Cn1nnc2cc(C(=O)Nc3ccccc3)ccc21.Cn1nnc2cc(C(=O)Nc3ccccc3Br)ccc21.Cn1nnc2cc(C(=O)Nc3ccccc3O)ccc21.Cn1nnc2cc(C(=O)O)ccc21.Nc1ccccc1Br.Nc1ccccc1O.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
• InChI: InChI=1S/C16H14N4O.C16H26O.C14H11BrN4O.C14H12N4O2.C14H12N4O.C14H22.C13H20.C11H17N.C8H7N3O2.C7H9N.C7H16.C6H6BrN.C6H7NO.C6H14.9C2H6.4CH4.8Ar/c1-10(2)20-14-8-7-11(9-13(14)18-19-20)16-17-12-5-3-4-6-15(12)21-16;1-11-9-12(17-8)10-13(15(2,3)4)14(11)16(5,6)7;1-19-13-7-6-9(8-12(13)17-18-19)14(20)16-11-5-3-2-4-10(11)15;1-18-12-7-6-9(8-11(12)16-17-18)14(20)15-10-4-2-3-5-13(10)19;1-18-13-8-7-10(9-12(13)16-17-18)14(19)15-11-5-3-2-4-6-11;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-8(2)10-5-6-12-7-11(10)9(3)4;1-11-7-3-2-5(8(12)13)4-6(7)9-10-11;1-6-4-2-3-5-7(6)8;1-6(2)5-7(3)4;2*7-5-3-1-2-4-6(5)8;1-5(2)6(3)4;9*1-2;;;;;;;;;;;;/h3-10H,1-2H3;9-10H,1-8H3;2-8H,1H3,(H,16,20);2-8,19H,1H3,(H,15,20);2-9H,1H3,(H,15,19);7-10H,1-6H3;6-10H,1-5H3;5-9H,1-4H3;2-4H,1H3,(H,12,13);2-5H,8H2,1H3;6-7H,5H2,1-4H3;1-4H,8H2;1-4,8H,7H2;5-6H,1-4H3;9*1-2H3;4*1H4
• InChIKey: ZERQMZDXEIMUIQ-UHFFFAOYSA-N
• XLogP: 49.28
• TPSA: 444.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3300.56
LogP ≤ 5	49.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole?

The IUPAC name of 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole (CID 162099520) is 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole.

What is the SMILES notation for 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole?

The canonical SMILES for 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)C(C)C.CC(C)CC(C)C.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccncc1C(C)C.CC(C)n1nnc2cc(-c3nc4ccccc4o3)ccc21.COc1cc(C)c(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccccc1N.Cn1nnc2cc(C(=O)Nc3ccccc3)ccc21.Cn1nnc2cc(C(=O)Nc3ccccc3Br)ccc21.Cn1nnc2cc(C(=O)Nc3ccccc3O)ccc21.Cn1nnc2cc(C(=O)O)ccc21.Nc1ccccc1Br.Nc1ccccc1O.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].

What is the InChIKey of 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole?

The InChIKey is ZERQMZDXEIMUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O.C16H26O.C14H11BrN4O.C14H12N4O2.C14H12N4O.C14H22.C13H20.C11H17N.C8H7N3O2.C7H9N.C7H16.C6H6BrN.C6H7NO.C6H14.9C2H6.4CH4.8Ar/c1-10(2)20-14-8-7-11(9-13(14)18-19-20)16-17-12-5-3-4-6-15(12)21-16;1-11-9-12(17-8)10-13(15(2,3)4)14(11)16(5,6)7;1-19-13-7-6-9(8-12(13)17-18-19)14(20)16-11-5-3-2-4-10(11)15;1-18-12-7-6-9(8-11(12)16-17-18)14(20)15-10-4-2-3-5-13(10)19;1-18-13-8-7-10(9-12(13)16-17-18)14(19)15-11-5-3-2-4-6-11;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-8(2)10-5-6-12-7-11(10)9(3)4;1-11-7-3-2-5(8(12)13)4-6(7)9-10-11;1-6-4-2-3-5-7(6)8;1-6(2)5-7(3)4;2*7-5-3-1-2-4-6(5)8;1-5(2)6(3)4;9*1-2;;;;;;;;;;;;/h3-10H,1-2H3;9-10H,1-8H3;2-8H,1H3,(H,16,20);2-8,19H,1H3,(H,15,20);2-9H,1H3,(H,15,19);7-10H,1-6H3;6-10H,1-5H3;5-9H,1-4H3;2-4H,1H3,(H,12,13);2-5H,8H2,1H3;6-7H,5H2,1-4H3;1-4H,8H2;1-4,8H,7H2;5-6H,1-4H3;9*1-2H3;4*1H4;;;;;;;;.

What are the key properties of 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole?

2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole has a molecular weight of 3300.56 g/mol, XLogP of 49.28, 16 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminophenol;argon;2-bromoaniline;N-(2-bromophenyl)-1-methylbenzotriazole-5-carboxamide;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-5-methoxy-3-methylbenzene;2,3-dimethylbutane;2,4-dimethylpentane;3,4-di(propan-2-yl)pyridine;ethane;N-(2-hydroxyphenyl)-1-methylbenzotriazole-5-carboxamide;methane;2-methylaniline;1-methylbenzotriazole-5-carboxylic acid;1-methyl-N-phenylbenzotriazole-5-carboxamide;2-(1-propan-2-ylbenzotriazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 162099520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).