2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine

C18H28N2O2 — CID 83948446

IUPAC2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
SMILESCCCCn1cc(CCN)c2cc(OCC)c(OCC)cc21
InChIInChI=1S/C18H28N2O2/c1-4-7-10-20-13-14(8-9-19)15-11-17(21-5-2)18(22-6-3)12-16(15)20/h11-13H,4-10,19H2,1-3H3
InChIKeyQNPLFVCHZWMKGN-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.74
Rot. Bonds9

About 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine

2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine (PubChem CID 83948446) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
PubChem CID83948446
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
SMILESCCCCn1cc(CCN)c2cc(OCC)c(OCC)cc21
InChIInChI=1S/C18H28N2O2/c1-4-7-10-20-13-14(8-9-19)15-11-17(21-5-2)18(22-6-3)12-16(15)20/h11-13H,4-10,19H2,1-3H3
InChIKeyQNPLFVCHZWMKGN-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
CID 83944729
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
CID 83944715
2-(1-butyl-6-methoxyindol-3-yl)ethanamine
CID 83948665
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol
CID 83944727
2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
CID 83944711
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
CID 83944719
3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948898
3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine
CID 83948758
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine?
The IUPAC name of 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine (CID 83948446) is 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine?
The canonical SMILES for 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine is CCCCn1cc(CCN)c2cc(OCC)c(OCC)cc21.
What is the InChIKey of 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine?
The InChIKey is QNPLFVCHZWMKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-7-10-20-13-14(8-9-19)15-11-17(21-5-2)18(22-6-3)12-16(15)20/h11-13H,4-10,19H2,1-3H3.
What are the key properties of 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine?
2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine has a molecular weight of 304.43 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine is sourced from PubChem (CID 83948446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).