[(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

C25H33N2O2+ — CID 7218498

About [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

[(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium (PubChem CID 7218498) has the molecular formula C25H33N2O2+ and a molecular weight of 393.55 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium.

Molecular Properties

• Compound Name: [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
• PubChem CID: 7218498
• Molecular Formula: C25H33N2O2+
• Molecular Weight: 393.55 g/mol
• Exact Mass: 393.25
• IUPAC Name: [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
• SMILES: COCC[NH+](Cc1cccn1Cc1ccccc1C)C[C@H](O)Cc1ccccc1
• InChI: InChI=1S/C25H32N2O2/c1-21-9-6-7-12-23(21)18-27-14-8-13-24(27)19-26(15-16-29-2)20-25(28)17-22-10-4-3-5-11-22/h3-14,25,28H,15-20H2,1-2H3/p+1/t25-/m1/s1
• InChIKey: UVUPHLRQHIMOFJ-RUZDIDTESA-O
• XLogP: 2.48
• TPSA: 38.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.55
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?

The IUPAC name of [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium (CID 7218498) is [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium.

What is the SMILES notation for [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?

The canonical SMILES for [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium is COCC[NH+](Cc1cccn1Cc1ccccc1C)C[C@H](O)Cc1ccccc1.

What is the InChIKey of [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?

The InChIKey is UVUPHLRQHIMOFJ-RUZDIDTESA-O. The full InChI is InChI=1S/C25H32N2O2/c1-21-9-6-7-12-23(21)18-27-14-8-13-24(27)19-26(15-16-29-2)20-25(28)17-22-10-4-3-5-11-22/h3-14,25,28H,15-20H2,1-2H3/p+1/t25-/m1/s1.

What are the key properties of [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?

[(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium has a molecular weight of 393.55 g/mol, XLogP of 2.48, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium is sourced from PubChem (CID 7218498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).