2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine

C147H199Cl3F3N17O6 — CID 159492421

About 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine

2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine (PubChem CID 159492421) has the molecular formula C147H199Cl3F3N17O6 and a molecular weight of 2463.67 g/mol. Its IUPAC name is 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine.

Molecular Properties

• Compound Name: 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine
• PubChem CID: 159492421
• Molecular Formula: C147H199Cl3F3N17O6
• Molecular Weight: 2463.67 g/mol
• Exact Mass: 2460.48
• IUPAC Name: 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine
• SMILES: COc1cc(C)c(C)c(CN)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(CN)c(C)c1C.Cc1c(F)ccc(CN)c1C.Cc1cc(Cl)c(N)nc1C.Cc1cc(F)cc(CN)c1C.Cc1cc(N)c(Cl)cc1C.Cc1ccc(C(N)=O)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(Cl)cc1C.Cc1ccc(F)c(CN)c1C.Cc1ccc(N)nc1C.Cc1cccc(C(N)=O)c1C.Cc1cccc(CN)c1C.Cc1cnc(N)cc1C
• InChI: InChI=1S/2C10H15NO.3C9H12FN.2C9H11NO.3C9H13N.2C9H12O.C8H10ClN.C8H9Cl.C7H9ClN2.2C7H10N2/c1-7-4-10(12-3)5-9(6-11)8(7)2;1-7-8(2)10(12-3)5-4-9(7)6-11;1-6-3-9(10)4-8(5-11)7(6)2;1-6-7(2)9(10)4-3-8(6)5-11;1-6-3-4-9(10)8(5-11)7(6)2;1-6-3-4-8(9(10)11)5-7(6)2;1-6-4-3-5-8(7(6)2)9(10)11;2*1-7-3-4-9(6-10)5-8(7)2;1-7-4-3-5-9(6-10)8(7)2;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;1-4-3-6(8)7(9)10-5(4)2;1-5-3-7(8)9-4-6(5)2;1-5-3-4-7(8)9-6(5)2/h2*4-5H,6,11H2,1-3H3;3*3-4H,5,11H2,1-2H3;2*3-5H,1-2H3,(H2,10,11);3*3-5H,6,10H2,1-2H3;2*4-6H,1-3H3;3-4H,10H2,1-2H3;3-5H,1-2H3;3H,1-2H3,(H2,9,10);2*3-4H,1-2H3,(H2,8,9)
• InChIKey: LYJAOKVSTGGRNS-UHFFFAOYSA-N
• XLogP: 31.95
• TPSA: 474.01 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2463.67
LogP ≤ 5	31.95
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

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;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine?

The IUPAC name of 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine (CID 159492421) is 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine.

What is the SMILES notation for 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine?

The canonical SMILES for 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine is COc1cc(C)c(C)c(CN)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(CN)c(C)c1C.Cc1c(F)ccc(CN)c1C.Cc1cc(Cl)c(N)nc1C.Cc1cc(F)cc(CN)c1C.Cc1cc(N)c(Cl)cc1C.Cc1ccc(C(N)=O)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(Cl)cc1C.Cc1ccc(F)c(CN)c1C.Cc1ccc(N)nc1C.Cc1cccc(C(N)=O)c1C.Cc1cccc(CN)c1C.Cc1cnc(N)cc1C.

What is the InChIKey of 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine?

The InChIKey is LYJAOKVSTGGRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15NO.3C9H12FN.2C9H11NO.3C9H13N.2C9H12O.C8H10ClN.C8H9Cl.C7H9ClN2.2C7H10N2/c1-7-4-10(12-3)5-9(6-11)8(7)2;1-7-8(2)10(12-3)5-4-9(7)6-11;1-6-3-9(10)4-8(5-11)7(6)2;1-6-7(2)9(10)4-3-8(6)5-11;1-6-3-4-9(10)8(5-11)7(6)2;1-6-3-4-8(9(10)11)5-7(6)2;1-6-4-3-5-8(7(6)2)9(10)11;2*1-7-3-4-9(6-10)5-8(7)2;1-7-4-3-5-9(6-10)8(7)2;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;1-4-3-6(8)7(9)10-5(4)2;1-5-3-7(8)9-4-6(5)2;1-5-3-4-7(8)9-6(5)2/h2*4-5H,6,11H2,1-3H3;3*3-4H,5,11H2,1-2H3;2*3-5H,1-2H3,(H2,10,11);3*3-5H,6,10H2,1-2H3;2*4-6H,1-3H3;3-4H,10H2,1-2H3;3-5H,1-2H3;3H,1-2H3,(H2,9,10);2*3-4H,1-2H3,(H2,8,9).

What are the key properties of 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine?

2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine has a molecular weight of 2463.67 g/mol, XLogP of 31.95, 14 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 159492421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).