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

C24H26N2O4 — CID 6427063

IUPAC1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C24H26N2O4/c1-28-23-8-4-5-9-24(23)29-13-12-25-15-17(27)16-30-18-10-11-22-20(14-18)19-6-2-3-7-21(19)26-22/h2-11,14,17,25-27H,12-13,15-16H2,1H3
InChIKeyBHNLFXNCZURVOM-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.74
Rot. Bonds10

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

1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (PubChem CID 6427063) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
PubChem CID6427063
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C24H26N2O4/c1-28-23-8-4-5-9-24(23)29-13-12-25-15-17(27)16-30-18-10-11-22-20(14-18)19-6-2-3-7-21(19)26-22/h2-11,14,17,25-27H,12-13,15-16H2,1H3
InChIKeyBHNLFXNCZURVOM-UHFFFAOYSA-N
XLogP3.74
TPSA75.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (CID 6427063) is 1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is COc1ccccc1OCCNCC(O)COc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The InChIKey is BHNLFXNCZURVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-23-8-4-5-9-24(23)29-13-12-25-15-17(27)16-30-18-10-11-22-20(14-18)19-6-2-3-7-21(19)26-22/h2-11,14,17,25-27H,12-13,15-16H2,1H3.
What are the key properties of 1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol has a molecular weight of 406.48 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-3-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 6427063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).