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

C25H28N2O4 — CID 72710958

IUPAC1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol
SMILESCOc1ccccc1OCCNCCC(O)COc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C25H28N2O4/c1-29-24-8-4-5-9-25(24)30-15-14-26-13-12-18(28)17-31-19-10-11-23-21(16-19)20-6-2-3-7-22(20)27-23/h2-11,16,18,26-28H,12-15,17H2,1H3
InChIKeyHOGSKTXHLAOKQW-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.13
Rot. Bonds11

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

1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol (PubChem CID 72710958) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol
PubChem CID72710958
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol
SMILESCOc1ccccc1OCCNCCC(O)COc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C25H28N2O4/c1-29-24-8-4-5-9-25(24)30-15-14-26-13-12-18(28)17-31-19-10-11-23-21(16-19)20-6-2-3-7-22(20)27-23/h2-11,16,18,26-28H,12-15,17H2,1H3
InChIKeyHOGSKTXHLAOKQW-UHFFFAOYSA-N
XLogP4.13
TPSA75.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.13
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)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol?
The IUPAC name of 1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol (CID 72710958) is 1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol?
The canonical SMILES for 1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol is COc1ccccc1OCCNCCC(O)COc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol?
The InChIKey is HOGSKTXHLAOKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-24-8-4-5-9-25(24)30-15-14-26-13-12-18(28)17-31-19-10-11-23-21(16-19)20-6-2-3-7-22(20)27-23/h2-11,16,18,26-28H,12-15,17H2,1H3.
What are the key properties of 1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol?
1-(9H-carbazol-3-yloxy)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol has a molecular weight of 420.51 g/mol, XLogP of 4.13, 11 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)-4-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol is sourced from PubChem (CID 72710958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).