1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol

C26H32N2O3 — CID 42794852

About 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol

1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 42794852) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
• PubChem CID: 42794852
• Molecular Formula: C26H32N2O3
• Molecular Weight: 420.55 g/mol
• Exact Mass: 420.24
• IUPAC Name: 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
• SMILES: COc1ccc(OCC(O)CN(Cc2cccn2Cc2ccccc2C)C2CC2)cc1
• InChI: InChI=1S/C26H32N2O3/c1-20-6-3-4-7-21(20)16-27-15-5-8-23(27)17-28(22-9-10-22)18-24(29)19-31-26-13-11-25(30-2)12-14-26/h3-8,11-15,22,24,29H,9-10,16-19H2,1-2H3
• InChIKey: XVPUTIKYRJQKHQ-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 46.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.55
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol?

The IUPAC name of 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (CID 42794852) is 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol.

What is the SMILES notation for 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol?

The canonical SMILES for 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CN(Cc2cccn2Cc2ccccc2C)C2CC2)cc1.

What is the InChIKey of 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol?

The InChIKey is XVPUTIKYRJQKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-20-6-3-4-7-21(20)16-27-15-5-8-23(27)17-28(22-9-10-22)18-24(29)19-31-26-13-11-25(30-2)12-14-26/h3-8,11-15,22,24,29H,9-10,16-19H2,1-2H3.

What are the key properties of 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol?

1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 420.55 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 42794852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).