2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile

C26H30N2O2 — CID 10111740

About 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile

2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile (PubChem CID 10111740) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile.

Molecular Properties

• Compound Name: 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile
• PubChem CID: 10111740
• Molecular Formula: C26H30N2O2
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.23
• IUPAC Name: 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile
• SMILES: CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C#N
• InChI: InChI=1S/C26H30N2O2/c1-19(25-11-7-6-10-23(25)16-27)30-18-24(29)17-28-26(2,3)15-20-12-13-21-8-4-5-9-22(21)14-20/h4-14,19,24,28-29H,15,17-18H2,1-3H3/t19?,24-/m1/s1
• InChIKey: GHNOKMNORHRHRM-JKSFWZLDSA-N
• XLogP: 4.76
• TPSA: 65.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile?

The IUPAC name of 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile (CID 10111740) is 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile.

What is the SMILES notation for 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile?

The canonical SMILES for 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile is CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C#N.

What is the InChIKey of 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile?

The InChIKey is GHNOKMNORHRHRM-JKSFWZLDSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-19(25-11-7-6-10-23(25)16-27)30-18-24(29)17-28-26(2,3)15-20-12-13-21-8-4-5-9-22(21)14-20/h4-14,19,24,28-29H,15,17-18H2,1-3H3/t19?,24-/m1/s1.

What are the key properties of 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile?

2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile has a molecular weight of 402.54 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]benzonitrile is sourced from PubChem (CID 10111740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).