1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole

C11H15NO — CID 14491719

IUPAC1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole
SMILESCOCCC1NCc2ccccc21
InChIInChI=1S/C11H15NO/c1-13-7-6-11-10-5-3-2-4-9(10)8-12-11/h2-5,11-12H,6-8H2,1H3
InChIKeyXZCIDTUVWRDVHS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.87
Rot. Bonds3

About 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole

1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole (PubChem CID 14491719) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole
PubChem CID14491719
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole
SMILESCOCCC1NCc2ccccc21
InChIInChI=1S/C11H15NO/c1-13-7-6-11-10-5-3-2-4-9(10)8-12-11/h2-5,11-12H,6-8H2,1H3
InChIKeyXZCIDTUVWRDVHS-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10797392
(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
Naphthalen-1,4-imine,1,4-dihydro-
CID 138429
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504
Isoindoline, N-isopropyl-, hydrochloride
CID 52574
Pyrrolidine, 2-(2-methoxy-3-methyl-2-butenyl)-2-phenyl-
CID 15920820
1-methyl-2,3-dihydro-1H-isoindole hydrochloride
CID 75480552
(2,3-dihydro-1H-isoindol-1-yl)methanol hydrochloride
CID 86767696
(1S)-1-methyl-2,3-dihydro-1H-isoindole hydrochloride
CID 121269686
1-Methyl-2,3-dihydro-1H-isoindole
CID 14491714
rac-(1R,3R)-1,3-dimethyl-2,3-dihydro-1H-isoindole
CID 55300087
3-Phenyl-octahydropyrano[4,3-b]pyrrole
CID 119030927

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole (CID 14491719) is 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole is COCCC1NCc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is XZCIDTUVWRDVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-7-6-11-10-5-3-2-4-9(10)8-12-11/h2-5,11-12H,6-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole?
1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 177.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 14491719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).