1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine

C15H24N2O — CID 102661632

IUPAC1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
SMILESCCOCCN1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C15H24N2O/c1-4-18-10-9-17-8-7-14-11-13(12(2)16-3)5-6-15(14)17/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeySAQRIYZBWJFVGD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.37
Rot. Bonds6

About 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine

1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine (PubChem CID 102661632) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
PubChem CID102661632
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
SMILESCCOCCN1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C15H24N2O/c1-4-18-10-9-17-8-7-14-11-13(12(2)16-3)5-6-15(14)17/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeySAQRIYZBWJFVGD-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine (CID 102661632) is 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine is CCOCCN1CCc2cc(C(C)NC)ccc21.
What is the InChIKey of 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine?
The InChIKey is SAQRIYZBWJFVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-18-10-9-17-8-7-14-11-13(12(2)16-3)5-6-15(14)17/h5-6,11-12,16H,4,7-10H2,1-3H3.
What are the key properties of 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine?
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine is sourced from PubChem (CID 102661632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).