4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline

C22H28N2 — CID 122367887

IUPAC4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline
SMILESCCc1ccc(N(C)CCc2cn(C)c3ccc(CC)cc23)cc1
InChIInChI=1S/C22H28N2/c1-5-17-7-10-20(11-8-17)23(3)14-13-19-16-24(4)22-12-9-18(6-2)15-21(19)22/h7-12,15-16H,5-6,13-14H2,1-4H3
InChIKeyZESIYSIRKBKYHL-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.98
Rot. Bonds6

About 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline

4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline (PubChem CID 122367887) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline
PubChem CID122367887
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline
SMILESCCc1ccc(N(C)CCc2cn(C)c3ccc(CC)cc23)cc1
InChIInChI=1S/C22H28N2/c1-5-17-7-10-20(11-8-17)23(3)14-13-19-16-24(4)22-12-9-18(6-2)15-21(19)22/h7-12,15-16H,5-6,13-14H2,1-4H3
InChIKeyZESIYSIRKBKYHL-UHFFFAOYSA-N
XLogP4.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline?
The IUPAC name of 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline (CID 122367887) is 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline.
What is the SMILES notation for 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline?
The canonical SMILES for 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline is CCc1ccc(N(C)CCc2cn(C)c3ccc(CC)cc23)cc1.
What is the InChIKey of 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline?
The InChIKey is ZESIYSIRKBKYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-5-17-7-10-20(11-8-17)23(3)14-13-19-16-24(4)22-12-9-18(6-2)15-21(19)22/h7-12,15-16H,5-6,13-14H2,1-4H3.
What are the key properties of 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline?
4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline has a molecular weight of 320.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline is sourced from PubChem (CID 122367887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).