[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene

C157H192Cl8F5N15O8S — CID 157150197

About [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene

[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene (PubChem CID 157150197) has the molecular formula C157H192Cl8F5N15O8S and a molecular weight of 2828.04 g/mol. Its IUPAC name is [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene.

Molecular Properties

• Compound Name: [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene
• PubChem CID: 157150197
• Molecular Formula: C157H192Cl8F5N15O8S
• Molecular Weight: 2828.04 g/mol
• Exact Mass: 2822.22
• IUPAC Name: [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene
• SMILES: CCc1ccc(C)cc1.COc1ccc(C)c(CN)c1.COc1ccc(C)cc1.COc1ccc(C)cn1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(CN)ccc1CN.Cc1cc(Cl)ccc1C(N)=O.Cc1cc(F)ccc1CN.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc(F)cc1CN.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1ccccc1.Cc1ccccc1CN
• InChI: InChI=1S/C9H14N2.2C9H13NO.C9H12.2C8H8ClNO.C8H10ClN.4C8H10FN.C8H11N.C8H10O.C7H6ClF.C7H8ClNO2S.C7H8ClN.2C7H7Cl.C7H9NO.C7H8/c1-7-4-8(5-10)2-3-9(7)6-11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-3-9-6-4-8(2)5-7-9;1-5-4-6(9)2-3-7(5)8(10)11;1-5-2-3-6(9)4-7(5)8(10)11;1-6-2-3-8(9)4-7(6)5-10;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;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-5-2-3-6(8)4-7(5)12(9,10)11;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7/h2-4H,5-6,10-11H2,1H3;2*3-5H,6,10H2,1-2H3;4-7H,3H2,1-2H3;2*2-4H,1H3,(H2,10,11);5*2-4H,5,10H2,1H3;2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,1H3;2-4H,1H3,(H2,9,10,11);2-4H,9H2,1H3;2*2-5H,1H3;3-5H,1-2H3;2-6H,1H3
• InChIKey: ALDZRTZPDATOEA-UHFFFAOYSA-N
• XLogP: 36.83
• TPSA: 482.37 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2828.04
LogP ≤ 5	36.83
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene?

The IUPAC name of [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene (CID 157150197) is [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene.

What is the SMILES notation for [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene?

The canonical SMILES for [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene is CCc1ccc(C)cc1.COc1ccc(C)c(CN)c1.COc1ccc(C)cc1.COc1ccc(C)cn1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(CN)ccc1CN.Cc1cc(Cl)ccc1C(N)=O.Cc1cc(F)ccc1CN.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc(F)cc1CN.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1ccccc1.Cc1ccccc1CN.

What is the InChIKey of [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene?

The InChIKey is ALDZRTZPDATOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2C9H13NO.C9H12.2C8H8ClNO.C8H10ClN.4C8H10FN.C8H11N.C8H10O.C7H6ClF.C7H8ClNO2S.C7H8ClN.2C7H7Cl.C7H9NO.C7H8/c1-7-4-8(5-10)2-3-9(7)6-11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-3-9-6-4-8(2)5-7-9;1-5-4-6(9)2-3-7(5)8(10)11;1-5-2-3-6(9)4-7(5)8(10)11;1-6-2-3-8(9)4-7(6)5-10;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;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-5-2-3-6(8)4-7(5)12(9,10)11;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7/h2-4H,5-6,10-11H2,1H3;2*3-5H,6,10H2,1-2H3;4-7H,3H2,1-2H3;2*2-4H,1H3,(H2,10,11);5*2-4H,5,10H2,1H3;2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,1H3;2-4H,1H3,(H2,9,10,11);2-4H,9H2,1H3;2*2-5H,1H3;3-5H,1-2H3;2-6H,1H3.

What are the key properties of [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene?

[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene has a molecular weight of 2828.04 g/mol, XLogP of 36.83, 18 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene is sourced from PubChem (CID 157150197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).