1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol

C19H25Cl2N3O3 — CID 10024779

About 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol

1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol (PubChem CID 10024779) has the molecular formula C19H25Cl2N3O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol
• PubChem CID: 10024779
• Molecular Formula: C19H25Cl2N3O3
• Molecular Weight: 414.33 g/mol
• Exact Mass: 413.13
• IUPAC Name: 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol
• SMILES: Cc1cccc(OCC(O)CNC(C)(C)CCOc2ccc(Cl)nn2)c1Cl
• InChI: InChI=1S/C19H25Cl2N3O3/c1-13-5-4-6-15(18(13)21)27-12-14(25)11-22-19(2,3)9-10-26-17-8-7-16(20)23-24-17/h4-8,14,22,25H,9-12H2,1-3H3
• InChIKey: ZBCJBAPMHNKXRJ-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 76.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.33
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol?

The IUPAC name of 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol (CID 10024779) is 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol.

What is the SMILES notation for 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol?

The canonical SMILES for 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol is Cc1cccc(OCC(O)CNC(C)(C)CCOc2ccc(Cl)nn2)c1Cl.

What is the InChIKey of 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol?

The InChIKey is ZBCJBAPMHNKXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O3/c1-13-5-4-6-15(18(13)21)27-12-14(25)11-22-19(2,3)9-10-26-17-8-7-16(20)23-24-17/h4-8,14,22,25H,9-12H2,1-3H3.

What are the key properties of 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol?

1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol has a molecular weight of 414.33 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 10024779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).