1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol

C25H28N2O3 — CID 73346546

IUPAC1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol
SMILESCOc1ccccc1CCCNCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C25H28N2O3/c1-29-23-13-5-2-8-18(23)9-7-15-26-16-19(28)17-30-24-14-6-12-22-25(24)20-10-3-4-11-21(20)27-22/h2-6,8,10-14,19,26-28H,7,9,15-17H2,1H3
InChIKeyRCWUUPZJNLNUAO-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.29
Rot. Bonds10

About 1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol

1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol (PubChem CID 73346546) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol
PubChem CID73346546
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol
SMILESCOc1ccccc1CCCNCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C25H28N2O3/c1-29-23-13-5-2-8-18(23)9-7-15-26-16-19(28)17-30-24-14-6-12-22-25(24)20-10-3-4-11-21(20)27-22/h2-6,8,10-14,19,26-28H,7,9,15-17H2,1H3
InChIKeyRCWUUPZJNLNUAO-UHFFFAOYSA-N
XLogP4.29
TPSA66.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.29
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-[3-(2-methoxyphenyl)propylamino]propan-2-ol?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol (CID 73346546) is 1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol is COc1ccccc1CCCNCC(O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol?
The InChIKey is RCWUUPZJNLNUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-29-23-13-5-2-8-18(23)9-7-15-26-16-19(28)17-30-24-14-6-12-22-25(24)20-10-3-4-11-21(20)27-22/h2-6,8,10-14,19,26-28H,7,9,15-17H2,1H3.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol?
1-(9H-carbazol-4-yloxy)-3-[3-(2-methoxyphenyl)propylamino]propan-2-ol has a molecular weight of 404.51 g/mol, XLogP of 4.29, 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-[3-(2-methoxyphenyl)propylamino]propan-2-ol is sourced from PubChem (CID 73346546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).