6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline

C191H244Cl6FN17O10 — CID 159735771

About 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline

6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline (PubChem CID 159735771) has the molecular formula C191H244Cl6FN17O10 and a molecular weight of 3169.88 g/mol. Its IUPAC name is 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline.

Molecular Properties

• Compound Name: 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline
• PubChem CID: 159735771
• Molecular Formula: C191H244Cl6FN17O10
• Molecular Weight: 3169.88 g/mol
• Exact Mass: 3164.72
• IUPAC Name: 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline
• SMILES: C.CC(=O)n1ncc2cc(C)ccc21.CNc1cccc(C)c1C.COc1cccc(C)c1C.Cc1c(Cl)cc(Cl)c(N)c1C.Cc1c(N)ccc(Cl)c1C.Cc1c(O)c(Cl)cc(Cl)c1F.Cc1ccc(C)c(N)c1C.Cc1ccc(Cl)c(N)c1C.Cc1ccc(N)c(C)c1C.Cc1ccc(N)c(O)c1C.Cc1ccc(N)cc1C.Cc1ccc(O)cc1C.Cc1ccc2[nH]ncc2c1C.Cc1ccc2ccccc2c1C.Cc1cccc(N(C)C)c1C.Cc1cccc(N)c1C.Cc1cccc(N)c1C.Cc1cccc(O)c1C.Cc1cccc(O)c1C.Cc1cccc(O)c1C.Cc1cccc(OC(=O)N(C)C)c1C.Cc1ccccc1N
• InChI: InChI=1S/C12H12.C11H15NO2.C10H10N2O.C10H15N.C9H10N2.3C9H13N.C9H12O.C8H9Cl2N.2C8H10ClN.C8H11NO.3C8H11N.4C8H10O.C7H5Cl2FO.C7H9N.CH4/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-8-6-5-7-10(9(8)2)14-11(13)12(3)4;1-7-3-4-10-9(5-7)6-11-12(10)8(2)13;1-8-6-5-7-10(9(8)2)11(3)4;1-6-3-4-9-8(7(6)2)5-10-11-9;1-7-5-4-6-9(10-3)8(7)2;1-6-4-5-9(10)8(3)7(6)2;1-6-4-5-7(2)9(10)8(6)3;1-7-5-4-6-9(10-3)8(7)2;1-4-5(2)8(11)7(10)3-6(4)9;1-5-6(2)8(10)4-3-7(5)9;2*1-5-3-4-7(9)8(10)6(5)2;1-6-3-4-8(9)5-7(6)2;2*1-6-4-3-5-8(9)7(6)2;1-6-3-4-8(9)5-7(6)2;3*1-6-4-3-5-8(9)7(6)2;1-3-6(10)4(8)2-5(9)7(3)11;1-6-4-2-3-5-7(6)8;/h3-8H,1-2H3;5-7H,1-4H3;3-6H,1-2H3;5-7H,1-4H3;3-5H,1-2H3,(H,10,11);4-6,10H,1-3H3;2*4-5H,10H2,1-3H3;4-6H,1-3H3;3H,11H2,1-2H3;2*3-4H,10H2,1-2H3;3-4,10H,9H2,1-2H3;3*3-5H,9H2,1-2H3;4*3-5,9H,1-2H3;2,11H,1H3;2-5H,8H2,1H3;1H4
• InChIKey: NBUYZCKUWVDNKW-UHFFFAOYSA-N
• XLogP: 50.33
• TPSA: 499.19 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 25
• Rotatable Bonds: 4
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3169.88
LogP ≤ 5	50.33
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline?

The IUPAC name of 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline (CID 159735771) is 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline.

What is the SMILES notation for 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline?

The canonical SMILES for 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline is C.CC(=O)n1ncc2cc(C)ccc21.CNc1cccc(C)c1C.COc1cccc(C)c1C.Cc1c(Cl)cc(Cl)c(N)c1C.Cc1c(N)ccc(Cl)c1C.Cc1c(O)c(Cl)cc(Cl)c1F.Cc1ccc(C)c(N)c1C.Cc1ccc(Cl)c(N)c1C.Cc1ccc(N)c(C)c1C.Cc1ccc(N)c(O)c1C.Cc1ccc(N)cc1C.Cc1ccc(O)cc1C.Cc1ccc2[nH]ncc2c1C.Cc1ccc2ccccc2c1C.Cc1cccc(N(C)C)c1C.Cc1cccc(N)c1C.Cc1cccc(N)c1C.Cc1cccc(O)c1C.Cc1cccc(O)c1C.Cc1cccc(O)c1C.Cc1cccc(OC(=O)N(C)C)c1C.Cc1ccccc1N.

What is the InChIKey of 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline?

The InChIKey is NBUYZCKUWVDNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H15NO2.C10H10N2O.C10H15N.C9H10N2.3C9H13N.C9H12O.C8H9Cl2N.2C8H10ClN.C8H11NO.3C8H11N.4C8H10O.C7H5Cl2FO.C7H9N.CH4/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-8-6-5-7-10(9(8)2)14-11(13)12(3)4;1-7-3-4-10-9(5-7)6-11-12(10)8(2)13;1-8-6-5-7-10(9(8)2)11(3)4;1-6-3-4-9-8(7(6)2)5-10-11-9;1-7-5-4-6-9(10-3)8(7)2;1-6-4-5-9(10)8(3)7(6)2;1-6-4-5-7(2)9(10)8(6)3;1-7-5-4-6-9(10-3)8(7)2;1-4-5(2)8(11)7(10)3-6(4)9;1-5-6(2)8(10)4-3-7(5)9;2*1-5-3-4-7(9)8(10)6(5)2;1-6-3-4-8(9)5-7(6)2;2*1-6-4-3-5-8(9)7(6)2;1-6-3-4-8(9)5-7(6)2;3*1-6-4-3-5-8(9)7(6)2;1-3-6(10)4(8)2-5(9)7(3)11;1-6-4-2-3-5-7(6)8;/h3-8H,1-2H3;5-7H,1-4H3;3-6H,1-2H3;5-7H,1-4H3;3-5H,1-2H3,(H,10,11);4-6,10H,1-3H3;2*4-5H,10H2,1-3H3;4-6H,1-3H3;3H,11H2,1-2H3;2*3-4H,10H2,1-2H3;3-4,10H,9H2,1-2H3;3*3-5H,9H2,1-2H3;4*3-5,9H,1-2H3;2,11H,1H3;2-5H,8H2,1H3;1H4.

What are the key properties of 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline?

6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline has a molecular weight of 3169.88 g/mol, XLogP of 50.33, 4 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline is sourced from PubChem (CID 159735771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).