1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole

C11H15NO — CID 84732148

IUPAC1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
SMILESCCC1NCc2cccc(OC)c21
InChIInChI=1S/C11H15NO/c1-3-9-11-8(7-12-9)5-4-6-10(11)13-2/h4-6,9,12H,3,7H2,1-2H3
InChIKeyYJIAJSURKVSJLG-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.25
Rot. Bonds2

About 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole

1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole (PubChem CID 84732148) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
PubChem CID84732148
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
SMILESCCC1NCc2cccc(OC)c21
InChIInChI=1S/C11H15NO/c1-3-9-11-8(7-12-9)5-4-6-10(11)13-2/h4-6,9,12H,3,7H2,1-2H3
InChIKeyYJIAJSURKVSJLG-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 67538348
7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84736877
3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64687411
3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66069576
1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104609
5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 64689195
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
(4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 58294423
9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 84619158
1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine
CID 105443737
methyl 2-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105496163
3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane
CID 24904304

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole (CID 84732148) is 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole is CCC1NCc2cccc(OC)c21.
What is the InChIKey of 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole?
The InChIKey is YJIAJSURKVSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9-11-8(7-12-9)5-4-6-10(11)13-2/h4-6,9,12H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole?
1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole has a molecular weight of 177.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84732148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).