(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol

C26H33NO2 — CID 10222076

About (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol (PubChem CID 10222076) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol
• PubChem CID: 10222076
• Molecular Formula: C26H33NO2
• Molecular Weight: 391.56 g/mol
• Exact Mass: 391.25
• IUPAC Name: (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol
• SMILES: Cc1ccccc1C(C)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1
• InChI: InChI=1S/C26H33NO2/c1-19-9-5-8-12-25(19)20(2)29-18-24(28)17-27-26(3,4)16-21-13-14-22-10-6-7-11-23(22)15-21/h5-15,20,24,27-28H,16-18H2,1-4H3/t20?,24-/m1/s1
• InChIKey: RMVIYQIZWZQWDI-PIFIWZBESA-N
• XLogP: 5.20
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.56
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol (CID 10222076) is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol.

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

The canonical SMILES for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol is Cc1ccccc1C(C)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1.

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

The InChIKey is RMVIYQIZWZQWDI-PIFIWZBESA-N. The full InChI is InChI=1S/C26H33NO2/c1-19-9-5-8-12-25(19)20(2)29-18-24(28)17-27-26(3,4)16-21-13-14-22-10-6-7-11-23(22)15-21/h5-15,20,24,27-28H,16-18H2,1-4H3/t20?,24-/m1/s1.

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

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol has a molecular weight of 391.56 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[1-(2-methylphenyl)ethoxy]propan-2-ol is sourced from PubChem (CID 10222076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).