1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

C25H29Cl2NO2 — CID 20812663

About 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 20812663) has the molecular formula C25H29Cl2NO2 and a molecular weight of 446.42 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• PubChem CID: 20812663
• Molecular Formula: C25H29Cl2NO2
• Molecular Weight: 446.42 g/mol
• Exact Mass: 445.16
• IUPAC Name: 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
• SMILES: CC(OCC(O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C25H29Cl2NO2/c1-17(23-13-21(26)10-11-24(23)27)30-16-22(29)15-28-25(2,3)14-18-8-9-19-6-4-5-7-20(19)12-18/h4-13,17,22,28-29H,14-16H2,1-3H3
• InChIKey: OXVZLQQSCVCXJG-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.42
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The IUPAC name of 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 20812663) is 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

What is the SMILES notation for 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The canonical SMILES for 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is CC(OCC(O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl.

What is the InChIKey of 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

The InChIKey is OXVZLQQSCVCXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2NO2/c1-17(23-13-21(26)10-11-24(23)27)30-16-22(29)15-28-25(2,3)14-18-8-9-19-6-4-5-7-20(19)12-18/h4-13,17,22,28-29H,14-16H2,1-3H3.

What are the key properties of 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?

1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 446.42 g/mol, XLogP of 6.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,5-dichlorophenyl)ethoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 20812663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).