1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene

C159H191Cl6F4N19O10S3 — CID 161099396

About 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene

1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene (PubChem CID 161099396) has the molecular formula C159H191Cl6F4N19O10S3 and a molecular weight of 2913.31 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene.

Molecular Properties

• Compound Name: 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene
• PubChem CID: 161099396
• Molecular Formula: C159H191Cl6F4N19O10S3
• Molecular Weight: 2913.31 g/mol
• Exact Mass: 2908.23
• IUPAC Name: 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene
• SMILES: COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1ccc(C)c(N)c1.Cc1ccc(C)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.Clc1ccc(Cl)s1
• InChI: InChI=1S/C11H8Cl2.C9H11NO2.4C8H10FN.C8H11NO3S.2C8H9NO.3C8H11N.C8H10O.C8H10.C7H7Cl.C7H10N2.C7H9NO2S.C6H6ClN.2C6H8N2.C4H2Cl2S/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-4-8(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;1-6-3-4-7(12-2)5-8(6)13(9,10)11;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;1-7-4-3-5-8(2)6-7;1-6-2-4-7(8)5-3-6;1-5-3-4-6(2)9-7(5)8;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;5-3-1-2-4(6)7-3/h2-6H,1H3;3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3-5H,9H2,1-2H3;2*2-5H,6,9H2,1H3;3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;3-4H,1-2H3,(H2,8,9);2-5H,1H3,(H2,8,9,10);2-4H,1H3;2*2-4H,1H3,(H2,7,8);1-2H
• InChIKey: UIFMUDWZADLZFA-UHFFFAOYSA-N
• XLogP: 35.48
• TPSA: 589.04 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2913.31
LogP ≤ 5	35.48
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene?

The IUPAC name of 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene (CID 161099396) is 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene.

What is the SMILES notation for 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene?

The canonical SMILES for 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene is COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1ccc(C)c(N)c1.Cc1ccc(C)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.Clc1ccc(Cl)s1.

What is the InChIKey of 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene?

The InChIKey is UIFMUDWZADLZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2.C9H11NO2.4C8H10FN.C8H11NO3S.2C8H9NO.3C8H11N.C8H10O.C8H10.C7H7Cl.C7H10N2.C7H9NO2S.C6H6ClN.2C6H8N2.C4H2Cl2S/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-4-8(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;1-6-3-4-7(12-2)5-8(6)13(9,10)11;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;1-7-4-3-5-8(2)6-7;1-6-2-4-7(8)5-3-6;1-5-3-4-6(2)9-7(5)8;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;5-3-1-2-4(6)7-3/h2-6H,1H3;3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3-5H,9H2,1-2H3;2*2-5H,6,9H2,1H3;3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;3-4H,1-2H3,(H2,8,9);2-5H,1H3,(H2,8,9,10);2-4H,1H3;2*2-4H,1H3,(H2,7,8);1-2H.

What are the key properties of 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene?

1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene has a molecular weight of 2913.31 g/mol, XLogP of 35.48, 14 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;1,6-dichloro-7-methylnaphthalene;2,5-dichlorothiophene;2,5-dimethylaniline;3,6-dimethylpyridin-2-amine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;1,3-xylene is sourced from PubChem (CID 161099396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).