2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol

C22H25FN4O3 — CID 71599354

About 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol

2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol (PubChem CID 71599354) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
• PubChem CID: 71599354
• Molecular Formula: C22H25FN4O3
• Molecular Weight: 412.47 g/mol
• Exact Mass: 412.19
• IUPAC Name: 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
• SMILES: COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(C(C)(C)O)c(OC)c2)n1
• InChI: InChI=1S/C22H25FN4O3/c1-22(2,28)17-10-7-15(13-18(17)29-3)19-25-20(27-21(26-19)30-4)24-12-11-14-5-8-16(23)9-6-14/h5-10,13,28H,11-12H2,1-4H3,(H,24,25,26,27)
• InChIKey: GOCKNBZHVRMBGN-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 89.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.47
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol?

The IUPAC name of 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol (CID 71599354) is 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol.

What is the SMILES notation for 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol?

The canonical SMILES for 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol is COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(C(C)(C)O)c(OC)c2)n1.

What is the InChIKey of 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol?

The InChIKey is GOCKNBZHVRMBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-22(2,28)17-10-7-15(13-18(17)29-3)19-25-20(27-21(26-19)30-4)24-12-11-14-5-8-16(23)9-6-14/h5-10,13,28H,11-12H2,1-4H3,(H,24,25,26,27).

What are the key properties of 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol?

2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol has a molecular weight of 412.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol is sourced from PubChem (CID 71599354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).