(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine

C125H146F4N24O4 — CID 158044233

About (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine

(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine (PubChem CID 158044233) has the molecular formula C125H146F4N24O4 and a molecular weight of 2124.70 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine.

Molecular Properties

• Compound Name: (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine
• PubChem CID: 158044233
• Molecular Formula: C125H146F4N24O4
• Molecular Weight: 2124.70 g/mol
• Exact Mass: 2123.19
• IUPAC Name: (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine
• SMILES: COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(CN)cc1.Cc1ccc(F)cc1CN.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN
• InChI: InChI=1S/C10H10N2.C9H9N3O.2C9H9N3.4C8H10FN.C8H9N3.C8H8N2O.C8H9NO.3C8H11N.C8H10O/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-5-11-12-9(10)8(7)4-6;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;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-3-2-4-7(5-6)8(9)10;1-7-2-4-8(6-9)5-3-7;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/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);4*2-4H,5,10H2,1H3;2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3
• InChIKey: FISFHSDAGVJVAW-UHFFFAOYSA-N
• XLogP: 23.24
• TPSA: 545.26 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2124.70
LogP ≤ 5	23.24
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine?

The IUPAC name of (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine (CID 158044233) is (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine.

What is the SMILES notation for (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine?

The canonical SMILES for (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine is COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(CN)cc1.Cc1ccc(F)cc1CN.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN.

What is the InChIKey of (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine?

The InChIKey is FISFHSDAGVJVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C9H9N3O.2C9H9N3.4C8H10FN.C8H9N3.C8H8N2O.C8H9NO.3C8H11N.C8H10O/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-5-11-12-9(10)8(7)4-6;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;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-3-2-4-7(5-6)8(9)10;1-7-2-4-8(6-9)5-3-7;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/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);4*2-4H,5,10H2,1H3;2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3.

What are the key properties of (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine?

(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine has a molecular weight of 2124.70 g/mol, XLogP of 23.24, 10 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine is sourced from PubChem (CID 158044233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).