1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

C20H24N2O4 — CID 44582475

IUPAC1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12
InChIInChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3
InChIKeyNYTATKPYSHURLX-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.58
Rot. Bonds10

About 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (PubChem CID 44582475) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
PubChem CID44582475
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12
InChIInChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3
InChIKeyNYTATKPYSHURLX-UHFFFAOYSA-N
XLogP2.58
TPSA75.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.58
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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Related Compounds

Carvedilol
CID 2585
Pindolol
CID 4828
Carazolol
CID 71739
Bucindolol
CID 51045
Mepindolol
CID 71698
(-)-Pindolol
CID 688095
4-(3-(4-(Diphenylmethyl)-1-piperazinyl)-2-hydroxypropoxy)-1H-indole-2-carbonitrile
CID 5190
Cyanopindolol
CID 155346
4-(2-((3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl)amino)ethoxy)-3-methoxyphenol
CID 4572774
4-Methoxy-1H-indole
CID 138363
(-)-Carvedilol
CID 185395
Desmethylcarvedilol
CID 155763

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (CID 44582475) is 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is COc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The InChIKey is NYTATKPYSHURLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3.
What are the key properties of 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol has a molecular weight of 356.42 g/mol, XLogP of 2.58, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 44582475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).