4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene)

C229H245Cl9F11N9O10 — CID 167709471

About 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene)

4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene) (PubChem CID 167709471) has the molecular formula C229H245Cl9F11N9O10 and a molecular weight of 3811.59 g/mol. Its IUPAC name is 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene).

Molecular Properties

• Compound Name: 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene)
• PubChem CID: 167709471
• Molecular Formula: C229H245Cl9F11N9O10
• Molecular Weight: 3811.59 g/mol
• Exact Mass: 3804.60
• IUPAC Name: 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene)
• SMILES: C=C1NCc2ccc(C)c(C)c21.COc1cccc(F)c1C.COc1cccc(F)c1C.Cc1c(Cl)cc(Cl)c(F)c1C.Cc1c(Cl)cc(Cl)c(N)c1C.Cc1c(Cl)cc(Cl)c(O)c1C.Cc1c(F)ccc2cc[nH]c(=O)c12.Cc1c(N)cccc1F.Cc1c(O)ccc(F)c1F.Cc1c(O)cccc1F.Cc1cc(N)ccc1Cl.Cc1cc(O)cc(Cl)c1Cl.Cc1cc(O)cc2ccccc12.Cc1ccc2[nH]ncc2c1C.Cc1ccc2c(c1C)[C@@H](C)CC=C2.Cc1ccc2cn[nH]c2c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(O)c1C.Cc1cccc(O)c1C.Cc1cccc2cccc(C)c12.Cc1cccc2cccc(C)c12.Cc1cccc2ccccc12.Cc1ccccc1C.Cc1ccccc1C
• InChI: InChI=1S/C13H16.2C12H12.C11H13N.C11H10O.C11H10.C10H8FNO.2C9H10N2.C8H7Cl2F.C8H9Cl2N.C8H8Cl2O.2C8H9FO.3C8H9F.2C8H10O.2C8H10.C7H6Cl2O.C7H8ClN.C7H6F2O.C7H8FN.C7H7FO/c1-9-7-8-12-6-4-5-10(2)13(12)11(9)3;2*1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-7-4-5-10-6-12-9(3)11(10)8(7)2;1-8-6-10(12)7-9-4-2-3-5-11(8)9;1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-8(11)3-2-7-4-5-12-10(13)9(6)7;1-6-3-4-9-8(7(6)2)5-10-11-9;1-6-3-4-8-5-10-11-9(8)7(6)2;3*1-4-5(2)8(11)7(10)3-6(4)9;2*1-6-7(9)4-3-5-8(6)10-2;5*1-6-4-3-5-8(9)7(6)2;2*1-7-5-3-4-6-8(7)2;1-4-2-5(10)3-6(8)7(4)9;1-5-4-6(9)2-3-7(5)8;1-4-6(10)3-2-5(8)7(4)9;2*1-5-6(8)3-2-4-7(5)9/h4,6-8,10H,5H2,1-3H3;2*3-8H,1-2H3;4-5,12H,3,6H2,1-2H3;2-7,12H,1H3;2-8H,1H3;2-5H,1H3,(H,12,13);2*3-5H,1-2H3,(H,10,11);3H,1-2H3;3H,11H2,1-2H3;3,11H,1-2H3;2*3-5H,1-2H3;3*3-5H,1-2H3;2*3-5,9H,1-2H3;2*3-6H,1-2H3;2-3,10H,1H3;2-4H,9H2,1H3;2-3,10H,1H3;2-4H,9H2,1H3;2-4,9H,1H3/t10-;;;;;;;;;;;;;;;;;;;;;;;;;/m0........................./s1
• InChIKey: ZPGBFJJZTIBDMW-FGGCWZFKSA-N
• XLogP: 66.72
• TPSA: 340.38 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 16
• Rotatable Bonds: 2
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3811.59
LogP ≤ 5	66.72
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene)?

The IUPAC name of 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene) (CID 167709471) is 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene).

What is the SMILES notation for 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene)?

The canonical SMILES for 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene) is C=C1NCc2ccc(C)c(C)c21.COc1cccc(F)c1C.COc1cccc(F)c1C.Cc1c(Cl)cc(Cl)c(F)c1C.Cc1c(Cl)cc(Cl)c(N)c1C.Cc1c(Cl)cc(Cl)c(O)c1C.Cc1c(F)ccc2cc[nH]c(=O)c12.Cc1c(N)cccc1F.Cc1c(O)ccc(F)c1F.Cc1c(O)cccc1F.Cc1cc(N)ccc1Cl.Cc1cc(O)cc(Cl)c1Cl.Cc1cc(O)cc2ccccc12.Cc1ccc2[nH]ncc2c1C.Cc1ccc2c(c1C)[C@@H](C)CC=C2.Cc1ccc2cn[nH]c2c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(O)c1C.Cc1cccc(O)c1C.Cc1cccc2cccc(C)c12.Cc1cccc2cccc(C)c12.Cc1cccc2ccccc12.Cc1ccccc1C.Cc1ccccc1C.

What is the InChIKey of 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene)?

The InChIKey is ZPGBFJJZTIBDMW-FGGCWZFKSA-N. The full InChI is InChI=1S/C13H16.2C12H12.C11H13N.C11H10O.C11H10.C10H8FNO.2C9H10N2.C8H7Cl2F.C8H9Cl2N.C8H8Cl2O.2C8H9FO.3C8H9F.2C8H10O.2C8H10.C7H6Cl2O.C7H8ClN.C7H6F2O.C7H8FN.C7H7FO/c1-9-7-8-12-6-4-5-10(2)13(12)11(9)3;2*1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-7-4-5-10-6-12-9(3)11(10)8(7)2;1-8-6-10(12)7-9-4-2-3-5-11(8)9;1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-8(11)3-2-7-4-5-12-10(13)9(6)7;1-6-3-4-9-8(7(6)2)5-10-11-9;1-6-3-4-8-5-10-11-9(8)7(6)2;3*1-4-5(2)8(11)7(10)3-6(4)9;2*1-6-7(9)4-3-5-8(6)10-2;5*1-6-4-3-5-8(9)7(6)2;2*1-7-5-3-4-6-8(7)2;1-4-2-5(10)3-6(8)7(4)9;1-5-4-6(9)2-3-7(5)8;1-4-6(10)3-2-5(8)7(4)9;2*1-5-6(8)3-2-4-7(5)9/h4,6-8,10H,5H2,1-3H3;2*3-8H,1-2H3;4-5,12H,3,6H2,1-2H3;2-7,12H,1H3;2-8H,1H3;2-5H,1H3,(H,12,13);2*3-5H,1-2H3,(H,10,11);3H,1-2H3;3H,11H2,1-2H3;3,11H,1-2H3;2*3-5H,1-2H3;3*3-5H,1-2H3;2*3-5,9H,1-2H3;2*3-6H,1-2H3;2-3,10H,1H3;2-4H,9H2,1H3;2-3,10H,1H3;2-4H,9H2,1H3;2-4,9H,1H3/t10-;;;;;;;;;;;;;;;;;;;;;;;;;/m0........................./s1.

What are the key properties of 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene)?

4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene) has a molecular weight of 3811.59 g/mol, XLogP of 66.72, 2 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylphenol;1,5-dichloro-2-fluoro-3,4-dimethylbenzene;3,4-dichloro-5-methylphenol;3,4-difluoro-2-methylphenol;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-indazole;4,5-dimethyl-3-methylidene-1,2-dihydroisoindole;bis(1,8-dimethylnaphthalene);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);bis(1-fluoro-3-methoxy-2-methylbenzene);3-fluoro-2-methylaniline;7-fluoro-8-methyl-2H-isoquinolin-1-one;3-fluoro-2-methylphenol;1-methylnaphthalene;4-methylnaphthalen-2-ol;(1S)-1,7,8-trimethyl-1,2-dihydronaphthalene;bis(1,2-xylene) is sourced from PubChem (CID 167709471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).