4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine

C21H26N2O2 — CID 11313754

IUPAC4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine
SMILESCOc1ccccc1OCCNCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H26N2O2/c1-24-20-11-4-5-12-21(20)25-15-14-22-13-7-6-8-17-16-23-19-10-3-2-9-18(17)19/h2-5,9-12,16,22-23H,6-8,13-15H2,1H3
InChIKeySOVXXZPVUNBMAR-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.17
Rot. Bonds10

About 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine

4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine (PubChem CID 11313754) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine
PubChem CID11313754
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine
SMILESCOc1ccccc1OCCNCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H26N2O2/c1-24-20-11-4-5-12-21(20)25-15-14-22-13-7-6-8-17-16-23-19-10-3-2-9-18(17)19/h2-5,9-12,16,22-23H,6-8,13-15H2,1H3
InChIKeySOVXXZPVUNBMAR-UHFFFAOYSA-N
XLogP4.17
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine (CID 11313754) is 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine is COc1ccccc1OCCNCCCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine?
The InChIKey is SOVXXZPVUNBMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-24-20-11-4-5-12-21(20)25-15-14-22-13-7-6-8-17-16-23-19-10-3-2-9-18(17)19/h2-5,9-12,16,22-23H,6-8,13-15H2,1H3.
What are the key properties of 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine?
4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine has a molecular weight of 338.45 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine is sourced from PubChem (CID 11313754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).