1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

C24H25FN2O4 — CID 72711170

IUPAC1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc2[nH]c3ccc(F)cc3c2c1
InChIInChI=1S/C24H25FN2O4/c1-29-23-4-2-3-5-24(23)30-11-10-26-14-17(28)15-31-18-7-9-22-20(13-18)19-12-16(25)6-8-21(19)27-22/h2-9,12-13,17,26-28H,10-11,14-15H2,1H3
InChIKeyZHKMKGACKWMKSV-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.88
Rot. Bonds10

About 1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (PubChem CID 72711170) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
PubChem CID72711170
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1ccc2[nH]c3ccc(F)cc3c2c1
InChIInChI=1S/C24H25FN2O4/c1-29-23-4-2-3-5-24(23)30-11-10-26-14-17(28)15-31-18-7-9-22-20(13-18)19-12-16(25)6-8-21(19)27-22/h2-9,12-13,17,26-28H,10-11,14-15H2,1H3
InChIKeyZHKMKGACKWMKSV-UHFFFAOYSA-N
XLogP3.88
TPSA75.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.88
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-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (CID 72711170) is 1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is COc1ccccc1OCCNCC(O)COc1ccc2[nH]c3ccc(F)cc3c2c1.
What is the InChIKey of 1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The InChIKey is ZHKMKGACKWMKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-29-23-4-2-3-5-24(23)30-11-10-26-14-17(28)15-31-18-7-9-22-20(13-18)19-12-16(25)6-8-21(19)27-22/h2-9,12-13,17,26-28H,10-11,14-15H2,1H3.
What are the key properties of 1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol has a molecular weight of 424.47 g/mol, XLogP of 3.88, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-9H-carbazol-3-yl)oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 72711170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).