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

C21H23FN4O2 — CID 71599448

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

2-[3-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol (PubChem CID 71599448) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[3-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
• PubChem CID: 71599448
• Molecular Formula: C21H23FN4O2
• Molecular Weight: 382.44 g/mol
• Exact Mass: 382.18
• IUPAC Name: 2-[3-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
• SMILES: COc1nc(NCCc2ccc(F)cc2)nc(-c2cccc(C(C)(C)O)c2)n1
• InChI: InChI=1S/C21H23FN4O2/c1-21(2,27)16-6-4-5-15(13-16)18-24-19(26-20(25-18)28-3)23-12-11-14-7-9-17(22)10-8-14/h4-10,13,27H,11-12H2,1-3H3,(H,23,24,25,26)
• InChIKey: PXPJSMABQUMCKF-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 80.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.44
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol (CID 71599448) is 2-[3-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol.

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

The canonical SMILES for 2-[3-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol is COc1nc(NCCc2ccc(F)cc2)nc(-c2cccc(C(C)(C)O)c2)n1.

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

The InChIKey is PXPJSMABQUMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-21(2,27)16-6-4-5-15(13-16)18-24-19(26-20(25-18)28-3)23-12-11-14-7-9-17(22)10-8-14/h4-10,13,27H,11-12H2,1-3H3,(H,23,24,25,26).

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

2-[3-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol has a molecular weight of 382.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 71599448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).