3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine

C16H24N2O — CID 65177726

IUPAC3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine
SMILESCCOCCCn1cc(CCCN)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-2-19-12-6-11-18-13-14(7-5-10-17)15-8-3-4-9-16(15)18/h3-4,8-9,13H,2,5-7,10-12,17H2,1H3
InChIKeyRJVSVSMMILXXFE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds8

About 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine

3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine (PubChem CID 65177726) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine
PubChem CID65177726
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine
SMILESCCOCCCn1cc(CCCN)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-2-19-12-6-11-18-13-14(7-5-10-17)15-8-3-4-9-16(15)18/h3-4,8-9,13H,2,5-7,10-12,17H2,1H3
InChIKeyRJVSVSMMILXXFE-UHFFFAOYSA-N
XLogP2.96
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine 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

2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
CID 65175428
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
CID 170868081
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
3-[1-(2-methylprop-2-enyl)indol-3-yl]propan-1-amine
CID 79185478
2-[1-(3-methylsulfanylpropyl)indol-3-yl]ethanamine
CID 113474367
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine
CID 112591716
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
[1-(3-ethoxypropyl)indazol-3-yl]methanamine
CID 65177727

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine?
The IUPAC name of 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine (CID 65177726) is 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine is CCOCCCn1cc(CCCN)c2ccccc21.
What is the InChIKey of 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine?
The InChIKey is RJVSVSMMILXXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-19-12-6-11-18-13-14(7-5-10-17)15-8-3-4-9-16(15)18/h3-4,8-9,13H,2,5-7,10-12,17H2,1H3.
What are the key properties of 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine?
3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine is sourced from PubChem (CID 65177726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).