4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole

C15H25NO3 — CID 71108887

IUPAC4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole
SMILESCOCCCOCCOC1CC=CC2=C1CN(C)C2
InChIInChI=1S/C15H25NO3/c1-16-11-13-5-3-6-15(14(13)12-16)19-10-9-18-8-4-7-17-2/h3,5,15H,4,6-12H2,1-2H3
InChIKeyNMRGACCXUNYURA-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.63
Rot. Bonds8

About 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole

4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole (PubChem CID 71108887) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole
PubChem CID71108887
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole
SMILESCOCCCOCCOC1CC=CC2=C1CN(C)C2
InChIInChI=1S/C15H25NO3/c1-16-11-13-5-3-6-15(14(13)12-16)19-10-9-18-8-4-7-17-2/h3,5,15H,4,6-12H2,1-2H3
InChIKeyNMRGACCXUNYURA-UHFFFAOYSA-N
XLogP1.63
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole 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

CID 144347603
CID 144347603
CID 70249858
CID 70249858
CID 70823939
CID 70823939
CID 143615617
CID 143615617

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole (CID 71108887) is 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole is COCCCOCCOC1CC=CC2=C1CN(C)C2.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole?
The InChIKey is NMRGACCXUNYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-16-11-13-5-3-6-15(14(13)12-16)19-10-9-18-8-4-7-17-2/h3,5,15H,4,6-12H2,1-2H3.
What are the key properties of 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole?
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole has a molecular weight of 267.37 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-1,3,4,5-tetrahydroisoindole is sourced from PubChem (CID 71108887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).