2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene

C122H156F4N16O3 — CID 161020186

About 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene

2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene (PubChem CID 161020186) has the molecular formula C122H156F4N16O3 and a molecular weight of 1970.69 g/mol. Its IUPAC name is 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene
• PubChem CID: 161020186
• Molecular Formula: C122H156F4N16O3
• Molecular Weight: 1970.69 g/mol
• Exact Mass: 1969.25
• IUPAC Name: 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene
• SMILES: COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(C)c(N)c1.Cc1ccc(C)c(N)n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccnc(N)c1
• InChI: InChI=1S/4C8H10FN.2C8H9NO.3C8H11N.C8H10O.2C8H10.C7H10N2.C7H9N.2C6H8N2/c1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-6-3-4-7(2)8(9)5-6;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-3-4-6(2)9-7(5)8;1-6-3-4-7(2)8-5-6;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h4*2-4H,5,10H2,1H3;2*2-5H,1H3,(H2,9,10);3-5H,9H2,1-2H3;2*2-5H,6,9H2,1H3;3-6H,1-2H3;2*3-6H,1-2H3;3-4H,1-2H3,(H2,8,9);3-5H,1-2H3;2*2-4H,1H3,(H2,7,8)
• InChIKey: TYGLZQCWSCCKCP-UHFFFAOYSA-N
• XLogP: 24.89
• TPSA: 407.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1970.69
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene?

The IUPAC name of 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene (CID 161020186) is 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene.

What is the SMILES notation for 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene?

The canonical SMILES for 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene is COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(C)c(N)c1.Cc1ccc(C)c(N)n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccnc(N)c1.

What is the InChIKey of 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene?

The InChIKey is TYGLZQCWSCCKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H10FN.2C8H9NO.3C8H11N.C8H10O.2C8H10.C7H10N2.C7H9N.2C6H8N2/c1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-6-3-4-7(2)8(9)5-6;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-3-4-6(2)9-7(5)8;1-6-3-4-7(2)8-5-6;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h4*2-4H,5,10H2,1H3;2*2-5H,1H3,(H2,9,10);3-5H,9H2,1-2H3;2*2-5H,6,9H2,1H3;3-6H,1-2H3;2*3-6H,1-2H3;3-4H,1-2H3,(H2,8,9);3-5H,1-2H3;2*2-4H,1H3,(H2,7,8).

What are the key properties of 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene?

2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene has a molecular weight of 1970.69 g/mol, XLogP of 24.89, 9 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene;1,4-xylene is sourced from PubChem (CID 161020186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).