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

C19H26ClN3O3 — CID 88688024

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

1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol (PubChem CID 88688024) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol
• PubChem CID: 88688024
• Molecular Formula: C19H26ClN3O3
• Molecular Weight: 379.89 g/mol
• Exact Mass: 379.17
• IUPAC Name: 1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol
• SMILES: CCc1cccc(OCC(O)CNC(C)(C)COc2ccc(Cl)nn2)c1
• InChI: InChI=1S/C19H26ClN3O3/c1-4-14-6-5-7-16(10-14)25-12-15(24)11-21-19(2,3)13-26-18-9-8-17(20)22-23-18/h5-10,15,21,24H,4,11-13H2,1-3H3
• InChIKey: SVFOWRRUXYEECP-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 76.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.89
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol (CID 88688024) is 1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol.

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

The canonical SMILES for 1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol is CCc1cccc(OCC(O)CNC(C)(C)COc2ccc(Cl)nn2)c1.

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

The InChIKey is SVFOWRRUXYEECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-4-14-6-5-7-16(10-14)25-12-15(24)11-21-19(2,3)13-26-18-9-8-17(20)22-23-18/h5-10,15,21,24H,4,11-13H2,1-3H3.

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

1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol has a molecular weight of 379.89 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 88688024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).