2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide

C148H183Cl2N21O14S2 — CID 160767789

About 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide

2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 160767789) has the molecular formula C148H183Cl2N21O14S2 and a molecular weight of 2615.26 g/mol. Its IUPAC name is 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide
• PubChem CID: 160767789
• Molecular Formula: C148H183Cl2N21O14S2
• Molecular Weight: 2615.26 g/mol
• Exact Mass: 2612.31
• IUPAC Name: 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide
• SMILES: COc1cc(C)c(C)c(C(N)=O)c1.COc1cc(C)c(C)c(S(N)(=O)=O)c1.COc1ccc(C)c(C)c1.Cc1cc(N)c(Cl)cc1C.Cc1cc2c(cc1C)C(N)=NOC2.Cc1cc2ccnc(N)c2cc1C.Cc1cc2ccnc(N)c2cc1C.Cc1cc2onc(N)c2cc1C.Cc1cc2onc(N)c2cc1C.Cc1ccc(C(N)=O)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(Cl)cc1C.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1C.Cc1cccc(C(N)=O)c1C.Cc1cccc(CN)c1C.Cc1cccc(S(N)(=O)=O)c1C
• InChI: InChI=1S/2C11H12N2.C10H11N3O.C10H12N2O.C10H13NO2.2C9H10N2O.C9H13NO3S.2C9H11NO.2C9H13N.C9H12O.C8H10ClN.C8H9Cl.C8H11NO2S/c2*1-7-5-9-3-4-13-11(12)10(9)6-8(7)2;1-6-4-3-5-8(7(6)2)9-11-10(14)13-12-9;1-6-3-8-5-13-12-10(11)9(8)4-7(6)2;1-6-4-8(13-3)5-9(7(6)2)10(11)12;2*1-5-3-7-8(4-6(5)2)12-11-9(7)10;1-6-4-8(13-3)5-9(7(6)2)14(10,11)12;1-6-3-4-8(9(10)11)5-7(6)2;1-6-4-3-5-8(7(6)2)9(10)11;1-7-3-4-9(6-10)5-8(7)2;1-7-4-3-5-9(6-10)8(7)2;1-7-4-5-9(10-3)6-8(7)2;1-5-3-7(9)8(10)4-6(5)2;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(7(6)2)12(9,10)11/h2*3-6H,1-2H3,(H2,12,13);3-5H,1-2H3,(H2,11,12,13,14);3-4H,5H2,1-2H3,(H2,11,12);4-5H,1-3H3,(H2,11,12);2*3-4H,1-2H3,(H2,10,11);4-5H,1-3H3,(H2,10,11,12);2*3-5H,1-2H3,(H2,10,11);2*3-5H,6,10H2,1-2H3;4-6H,1-3H3;3-4H,10H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H2,9,10,11)
• InChIKey: RYXIYERIHAHGNF-UHFFFAOYSA-N
• XLogP: 29.22
• TPSA: 646.41 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2615.26
LogP ≤ 5	29.22
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide?

The IUPAC name of 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide (CID 160767789) is 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide.

What is the SMILES notation for 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide?

The canonical SMILES for 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide is COc1cc(C)c(C)c(C(N)=O)c1.COc1cc(C)c(C)c(S(N)(=O)=O)c1.COc1ccc(C)c(C)c1.Cc1cc(N)c(Cl)cc1C.Cc1cc2c(cc1C)C(N)=NOC2.Cc1cc2ccnc(N)c2cc1C.Cc1cc2ccnc(N)c2cc1C.Cc1cc2onc(N)c2cc1C.Cc1cc2onc(N)c2cc1C.Cc1ccc(C(N)=O)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(Cl)cc1C.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1C.Cc1cccc(C(N)=O)c1C.Cc1cccc(CN)c1C.Cc1cccc(S(N)(=O)=O)c1C.

What is the InChIKey of 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide?

The InChIKey is RYXIYERIHAHGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12N2.C10H11N3O.C10H12N2O.C10H13NO2.2C9H10N2O.C9H13NO3S.2C9H11NO.2C9H13N.C9H12O.C8H10ClN.C8H9Cl.C8H11NO2S/c2*1-7-5-9-3-4-13-11(12)10(9)6-8(7)2;1-6-4-3-5-8(7(6)2)9-11-10(14)13-12-9;1-6-3-8-5-13-12-10(11)9(8)4-7(6)2;1-6-4-8(13-3)5-9(7(6)2)10(11)12;2*1-5-3-7-8(4-6(5)2)12-11-9(7)10;1-6-4-8(13-3)5-9(7(6)2)14(10,11)12;1-6-3-4-8(9(10)11)5-7(6)2;1-6-4-3-5-8(7(6)2)9(10)11;1-7-3-4-9(6-10)5-8(7)2;1-7-4-3-5-9(6-10)8(7)2;1-7-4-5-9(10-3)6-8(7)2;1-5-3-7(9)8(10)4-6(5)2;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(7(6)2)12(9,10)11/h2*3-6H,1-2H3,(H2,12,13);3-5H,1-2H3,(H2,11,12,13,14);3-4H,5H2,1-2H3,(H2,11,12);4-5H,1-3H3,(H2,11,12);2*3-4H,1-2H3,(H2,10,11);4-5H,1-3H3,(H2,10,11,12);2*3-5H,1-2H3,(H2,10,11);2*3-5H,6,10H2,1-2H3;4-6H,1-3H3;3-4H,10H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H2,9,10,11).

What are the key properties of 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide?

2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 2615.26 g/mol, XLogP of 29.22, 11 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(2,3-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2,3-dimethylphenyl)methanamine;(3,4-dimethylphenyl)methanamine;5-methoxy-2,3-dimethylbenzamide;4-methoxy-1,2-dimethylbenzene;5-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 160767789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).