1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol

C23H32N2O3 — CID 45249548

About 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol

1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol (PubChem CID 45249548) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
• PubChem CID: 45249548
• Molecular Formula: C23H32N2O3
• Molecular Weight: 384.52 g/mol
• Exact Mass: 384.24
• IUPAC Name: 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
• SMILES: COc1ccc(CNCC2CC2)cc1OCC(O)CN(C)Cc1ccccc1
• InChI: InChI=1S/C23H32N2O3/c1-25(15-19-6-4-3-5-7-19)16-21(26)17-28-23-12-20(10-11-22(23)27-2)14-24-13-18-8-9-18/h3-7,10-12,18,21,24,26H,8-9,13-17H2,1-2H3
• InChIKey: YMBBXGALHPJVBB-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 53.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.52
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?

The IUPAC name of 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol (CID 45249548) is 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol.

What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?

The canonical SMILES for 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol is COc1ccc(CNCC2CC2)cc1OCC(O)CN(C)Cc1ccccc1.

What is the InChIKey of 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?

The InChIKey is YMBBXGALHPJVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-25(15-19-6-4-3-5-7-19)16-21(26)17-28-23-12-20(10-11-22(23)27-2)14-24-13-18-8-9-18/h3-7,10-12,18,21,24,26H,8-9,13-17H2,1-2H3.

What are the key properties of 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?

1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol has a molecular weight of 384.52 g/mol, XLogP of 3.07, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol is sourced from PubChem (CID 45249548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).