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

C20H24N2O2 — CID 11381753

IUPAC3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine
SMILESCOc1ccccc1OCCNCCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H24N2O2/c1-23-19-10-4-5-11-20(19)24-14-13-21-12-6-7-16-15-22-18-9-3-2-8-17(16)18/h2-5,8-11,15,21-22H,6-7,12-14H2,1H3
InChIKeySTPTYZMDTOSUMZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.78
Rot. Bonds9

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

3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine (PubChem CID 11381753) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine
PubChem CID11381753
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine
SMILESCOc1ccccc1OCCNCCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H24N2O2/c1-23-19-10-4-5-11-20(19)24-14-13-21-12-6-7-16-15-22-18-9-3-2-8-17(16)18/h2-5,8-11,15,21-22H,6-7,12-14H2,1H3
InChIKeySTPTYZMDTOSUMZ-UHFFFAOYSA-N
XLogP3.78
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.78
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 3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine (CID 11381753) is 3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine is COc1ccccc1OCCNCCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine?
The InChIKey is STPTYZMDTOSUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-23-19-10-4-5-11-20(19)24-14-13-21-12-6-7-16-15-22-18-9-3-2-8-17(16)18/h2-5,8-11,15,21-22H,6-7,12-14H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine?
3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine has a molecular weight of 324.42 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 11381753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).