6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one

C13H18N2O2 — CID 70886803

IUPAC6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one
SMILESCN(C)CCOc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C13H18N2O2/c1-14(2)6-7-17-11-5-4-10-9-15(3)13(16)12(10)8-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyDLARNCPJKQDLKJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.21
Rot. Bonds4

About 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one

6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one (PubChem CID 70886803) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one
PubChem CID70886803
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one
SMILESCN(C)CCOc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C13H18N2O2/c1-14(2)6-7-17-11-5-4-10-9-15(3)13(16)12(10)8-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyDLARNCPJKQDLKJ-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one (CID 70886803) is 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one is CN(C)CCOc1ccc2c(c1)C(=O)N(C)C2.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one?
The InChIKey is DLARNCPJKQDLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14(2)6-7-17-11-5-4-10-9-15(3)13(16)12(10)8-11/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one?
6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 70886803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).