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

C26H33NO2 — CID 46891320

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

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylpropan-2-yloxy)propan-2-ol (PubChem CID 46891320) 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-phenylpropan-2-yloxy)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylpropan-2-yloxy)propan-2-ol
• PubChem CID: 46891320
• 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-phenylpropan-2-yloxy)propan-2-ol
• SMILES: CC(Cc1ccccc1)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1
• InChI: InChI=1S/C26H33NO2/c1-20(15-21-9-5-4-6-10-21)29-19-25(28)18-27-26(2,3)17-22-13-14-23-11-7-8-12-24(23)16-22/h4-14,16,20,25,27-28H,15,17-19H2,1-3H3/t20?,25-/m1/s1
• InChIKey: NWYUGUJYXZTTSN-GBAXHLBXSA-N
• XLogP: 4.76
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.56
LogP ≤ 5	4.76
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-phenylpropan-2-yloxy)propan-2-ol?

The IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylpropan-2-yloxy)propan-2-ol (CID 46891320) is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylpropan-2-yloxy)propan-2-ol.

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

The canonical SMILES for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylpropan-2-yloxy)propan-2-ol is CC(Cc1ccccc1)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-phenylpropan-2-yloxy)propan-2-ol?

The InChIKey is NWYUGUJYXZTTSN-GBAXHLBXSA-N. The full InChI is InChI=1S/C26H33NO2/c1-20(15-21-9-5-4-6-10-21)29-19-25(28)18-27-26(2,3)17-22-13-14-23-11-7-8-12-24(23)16-22/h4-14,16,20,25,27-28H,15,17-19H2,1-3H3/t20?,25-/m1/s1.

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

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylpropan-2-yloxy)propan-2-ol has a molecular weight of 391.56 g/mol, XLogP of 4.76, 10 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-phenylpropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 46891320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).