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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline

C178H229Cl6F2N17O11 — CID 163988666

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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline (PubChem CID 163988666) has the molecular formula C178H229Cl6F2N17O11 and a molecular weight of 3033.61 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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline
• PubChem CID: 163988666
• Molecular Formula: C178H229Cl6F2N17O11
• Molecular Weight: 3033.61 g/mol
• Exact Mass: 3028.60
• 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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline
• SMILES: C.CC(=O)n1ncc2c(C)c(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.Cc1c(O)cccc1O.Cc1cc(N)ccc1F.Cc1ccc(C)c(N)c1C.Cc1ccc(Cl)c(N)c1C.Cc1ccc(N)c(C)c1C.Cc1ccc(N)c(O)c1C.Cc1ccc(O)cc1C.Cc1ccc2[nH]ncc2c1C.Cc1cccc(N(C)C)c1C.Cc1cccc(N)c1C.Cc1cccc(N)c1C.Cc1cccc(O)c1C.Cc1cccc(O)c1C.Cc1cccc(OC(=O)N(C)C)c1C.Cc1ccccc1N
• InChI: InChI=1S/C11H12N2O.C11H15NO2.C10H15N.C9H10N2.3C9H13N.C9H12O.C8H9Cl2N.2C8H10ClN.C8H11NO.2C8H11N.3C8H10O.C7H5Cl2FO.C7H8FN.C7H9N.C7H8O2.CH4/c1-7-4-5-11-10(8(7)2)6-12-13(11)9(3)14;1-8-6-5-7-10(9(8)2)14-11(13)12(3)4;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;2*1-6-4-3-5-8(9)7(6)2;1-6-3-4-8(9)5-7(6)2;2*1-6-4-3-5-8(9)7(6)2;1-3-6(10)4(8)2-5(9)7(3)11;1-5-4-6(9)2-3-7(5)8;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;/h4-6H,1-3H3;5-7H,1-4H3;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;2*3-5H,9H2,1-2H3;3*3-5,9H,1-2H3;2,11H,1H3;2-4H,9H2,1H3;2-5H,8H2,1H3;2-4,8-9H,1H3;1H4
• InChIKey: TYPWBHPZKYILBP-UHFFFAOYSA-N
• XLogP: 46.41
• TPSA: 519.42 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 26
• Rotatable Bonds: 4
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3033.61
LogP ≤ 5	46.41
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	26

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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline (CID 163988666) 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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline is C.CC(=O)n1ncc2c(C)c(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.Cc1c(O)cccc1O.Cc1cc(N)ccc1F.Cc1ccc(C)c(N)c1C.Cc1ccc(Cl)c(N)c1C.Cc1ccc(N)c(C)c1C.Cc1ccc(N)c(O)c1C.Cc1ccc(O)cc1C.Cc1ccc2[nH]ncc2c1C.Cc1cccc(N(C)C)c1C.Cc1cccc(N)c1C.Cc1cccc(N)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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline?

The InChIKey is TYPWBHPZKYILBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C11H15NO2.C10H15N.C9H10N2.3C9H13N.C9H12O.C8H9Cl2N.2C8H10ClN.C8H11NO.2C8H11N.3C8H10O.C7H5Cl2FO.C7H8FN.C7H9N.C7H8O2.CH4/c1-7-4-5-11-10(8(7)2)6-12-13(11)9(3)14;1-8-6-5-7-10(9(8)2)14-11(13)12(3)4;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;2*1-6-4-3-5-8(9)7(6)2;1-6-3-4-8(9)5-7(6)2;2*1-6-4-3-5-8(9)7(6)2;1-3-6(10)4(8)2-5(9)7(3)11;1-5-4-6(9)2-3-7(5)8;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;/h4-6H,1-3H3;5-7H,1-4H3;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;2*3-5H,9H2,1-2H3;3*3-5,9H,1-2H3;2,11H,1H3;2-4H,9H2,1H3;2-5H,8H2,1H3;2-4,8-9H,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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline has a molecular weight of 3033.61 g/mol, XLogP of 46.41, 4 rotatable bonds, 19 hydrogen bond donors, and 26 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);4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;bis(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;4-fluoro-3-methylaniline;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;2-methylbenzene-1,3-diol;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline is sourced from PubChem (CID 163988666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).