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

C18H23Cl2N3O3 — CID 54084381

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

1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol (PubChem CID 54084381) has the molecular formula C18H23Cl2N3O3 and a molecular weight of 400.31 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
• PubChem CID: 54084381
• Molecular Formula: C18H23Cl2N3O3
• Molecular Weight: 400.31 g/mol
• Exact Mass: 399.11
• IUPAC Name: 1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
• SMILES: Cc1c(Cl)cccc1OCC(O)CNC(C)(C)COc1ccc(Cl)nn1
• InChI: InChI=1S/C18H23Cl2N3O3/c1-12-14(19)5-4-6-15(12)25-10-13(24)9-21-18(2,3)11-26-17-8-7-16(20)22-23-17/h4-8,13,21,24H,9-11H2,1-3H3
• InChIKey: MPJQVVPOGKUPJA-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 76.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.31
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol (CID 54084381) is 1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol.

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

The canonical SMILES for 1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol is Cc1c(Cl)cccc1OCC(O)CNC(C)(C)COc1ccc(Cl)nn1.

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

The InChIKey is MPJQVVPOGKUPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O3/c1-12-14(19)5-4-6-15(12)25-10-13(24)9-21-18(2,3)11-26-17-8-7-16(20)22-23-17/h4-8,13,21,24H,9-11H2,1-3H3.

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

1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol has a molecular weight of 400.31 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 54084381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).