[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium

C23H37N2O2+ — CID 7356076

About [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium

[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium (PubChem CID 7356076) has the molecular formula C23H37N2O2+ and a molecular weight of 373.56 g/mol. Its IUPAC name is [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium.

Molecular Properties

• Compound Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium
• PubChem CID: 7356076
• Molecular Formula: C23H37N2O2+
• Molecular Weight: 373.56 g/mol
• Exact Mass: 373.28
• IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium
• SMILES: COCC[NH+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO
• InChI: InChI=1S/C23H36N2O2/c1-22(2,3)20-11-9-19(10-12-20)16-24-13-7-8-21(24)17-25(14-15-27-6)23(4,5)18-26/h7-13,26H,14-18H2,1-6H3/p+1
• InChIKey: UCOUDMXHYBAFNT-UHFFFAOYSA-O
• XLogP: 2.64
• TPSA: 38.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.56
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium?

The IUPAC name of [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium (CID 7356076) is [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium.

What is the SMILES notation for [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium?

The canonical SMILES for [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium is COCC[NH+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO.

What is the InChIKey of [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium?

The InChIKey is UCOUDMXHYBAFNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H36N2O2/c1-22(2,3)20-11-9-19(10-12-20)16-24-13-7-8-21(24)17-25(14-15-27-6)23(4,5)18-26/h7-13,26H,14-18H2,1-6H3/p+1.

What are the key properties of [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium?

[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium has a molecular weight of 373.56 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium is sourced from PubChem (CID 7356076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).