2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine

C10H20InNO2 — CID 140972314

IUPAC2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine
SMILESCOC1C=C[In](COCCN(C)C)C1
InChIInChI=1S/C5H12NO.C5H8O.In/c1-6(2)4-5-7-3;1-4-5(2)6-3;/h3-5H2,1-2H3;1,4-5H,2H2,3H3;
InChIKeyKODIQCVULDHCOG-UHFFFAOYSA-N
MW301.09 g/mol
LogP0.72
Rot. Bonds6

About 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine

2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine (PubChem CID 140972314) has the molecular formula C10H20InNO2 and a molecular weight of 301.09 g/mol. Its IUPAC name is 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine
PubChem CID140972314
Molecular FormulaC10H20InNO2
Molecular Weight301.09 g/mol
Exact Mass301.05
IUPAC Name2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine
SMILESCOC1C=C[In](COCCN(C)C)C1
InChIInChI=1S/C5H12NO.C5H8O.In/c1-6(2)4-5-7-3;1-4-5(2)6-3;/h3-5H2,1-2H3;1,4-5H,2H2,3H3;
InChIKeyKODIQCVULDHCOG-UHFFFAOYSA-N
XLogP0.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine 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-methoxy-N,N-dimethylbut-3-en-1-amine
CID 20798624
2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine
CID 23618072
4-[2-[(2R)-but-3-en-2-yl]oxyethyl]morpholine
CID 117767732
3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine
CID 140972293
N,N-diethyl-2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]ethanamine
CID 140972299
N,N-diethyl-3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]propan-1-amine
CID 140972348
(2R)-N-ethyl-2-methoxy-N-methylbut-3-en-1-amine
CID 156243407
4-(2-But-3-en-2-yloxyethyl)morpholine
CID 162382674
(2R)-2-(2-methoxyethoxy)-N,N-dimethylbut-3-en-1-amine
CID 163816694
2-but-3-en-2-yloxy-N,N-dimethylethanamine
CID 167055846
(2R)-2-methoxy-N,N-dimethylbut-3-en-1-amine
CID 177009557
Trimethyl-[2-(4-oxobut-3-en-2-yloxy)ethyl]azanium
CID 87881040

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine (CID 140972314) is 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine is COC1C=C[In](COCCN(C)C)C1.
What is the InChIKey of 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine?
The InChIKey is KODIQCVULDHCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO.C5H8O.In/c1-6(2)4-5-7-3;1-4-5(2)6-3;/h3-5H2,1-2H3;1,4-5H,2H2,3H3;.
What are the key properties of 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine?
2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine has a molecular weight of 301.09 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 140972314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).