1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol

C24H26N2O3 — CID 72711604

IUPAC1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol
SMILESOC(CNCCOCc1ccccc1)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H26N2O3/c27-19(15-25-13-14-28-16-18-7-2-1-3-8-18)17-29-23-12-6-11-22-24(23)20-9-4-5-10-21(20)26-22/h1-12,19,25-27H,13-17H2
InChIKeyWGIHDAKRJBELII-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.87
Rot. Bonds10

About 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol

1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol (PubChem CID 72711604) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol
PubChem CID72711604
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol
SMILESOC(CNCCOCc1ccccc1)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H26N2O3/c27-19(15-25-13-14-28-16-18-7-2-1-3-8-18)17-29-23-12-6-11-22-24(23)20-9-4-5-10-21(20)26-22/h1-12,19,25-27H,13-17H2
InChIKeyWGIHDAKRJBELII-UHFFFAOYSA-N
XLogP3.87
TPSA66.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol (CID 72711604) is 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol is OC(CNCCOCc1ccccc1)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol?
The InChIKey is WGIHDAKRJBELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-19(15-25-13-14-28-16-18-7-2-1-3-8-18)17-29-23-12-6-11-22-24(23)20-9-4-5-10-21(20)26-22/h1-12,19,25-27H,13-17H2.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol?
1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol has a molecular weight of 390.48 g/mol, XLogP of 3.87, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-(2-phenylmethoxyethylamino)propan-2-ol is sourced from PubChem (CID 72711604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).