1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide

C27H35BrN2O5 — CID 11376246

About 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide

1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide (PubChem CID 11376246) has the molecular formula C27H35BrN2O5 and a molecular weight of 547.49 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide.

Molecular Properties

• Compound Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
• PubChem CID: 11376246
• Molecular Formula: C27H35BrN2O5
• Molecular Weight: 547.49 g/mol
• Exact Mass: 546.17
• IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
• SMILES: Br.CC(C)O.COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
• InChI: InChI=1S/C24H26N2O4.C3H8O.BrH/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;1-3(2)4;/h2-12,17,25-27H,13-16H2,1H3;3-4H,1-2H3;1H
• InChIKey: DMSVGWSYZFKMPI-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 95.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.49
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide?

The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide (CID 11376246) is 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide.

What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide?

The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide is Br.CC(C)O.COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.

What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide?

The InChIKey is DMSVGWSYZFKMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4.C3H8O.BrH/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;1-3(2)4;/h2-12,17,25-27H,13-16H2,1H3;3-4H,1-2H3;1H.

What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide?

1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide has a molecular weight of 547.49 g/mol, XLogP of 4.70, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide is sourced from PubChem (CID 11376246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).