3-ethoxy-1,4-dihydroisoquinoline

C11H13NO — CID 15047390

IUPAC3-ethoxy-1,4-dihydroisoquinoline
SMILESCCOC1=NCc2ccccc2C1
InChIInChI=1S/C11H13NO/c1-2-13-11-7-9-5-3-4-6-10(9)8-12-11/h3-6H,2,7-8H2,1H3
InChIKeyBJBZDVJEJGGSIV-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.18
Rot. Bonds1

About 3-ethoxy-1,4-dihydroisoquinoline

3-ethoxy-1,4-dihydroisoquinoline (PubChem CID 15047390) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-ethoxy-1,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-ethoxy-1,4-dihydroisoquinoline
PubChem CID15047390
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-ethoxy-1,4-dihydroisoquinoline
SMILESCCOC1=NCc2ccccc2C1
InChIInChI=1S/C11H13NO/c1-2-13-11-7-9-5-3-4-6-10(9)8-12-11/h3-6H,2,7-8H2,1H3
InChIKeyBJBZDVJEJGGSIV-UHFFFAOYSA-N
XLogP2.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol
CID 15047393
2-benzyl-5,6-dihydro-4H-1,3-oxazine
CID 10702404
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 15619834
2,4-dimethyl-4-phenyl-5H-1,3-oxazole
CID 70189853
6-Methoxy-2-phenyl-2,3,4,5-tetrahydropyridine
CID 101728541
(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 102475498
3-ethoxy-9-fluoro-4,5-dihydro-1H-2-benzazepine
CID 141197335
6-Fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline
CID 141220938
2-Ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole
CID 142401480
(4S)-2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole
CID 142401639

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,4-dihydroisoquinoline?
The IUPAC name of 3-ethoxy-1,4-dihydroisoquinoline (CID 15047390) is 3-ethoxy-1,4-dihydroisoquinoline.
What is the SMILES notation for 3-ethoxy-1,4-dihydroisoquinoline?
The canonical SMILES for 3-ethoxy-1,4-dihydroisoquinoline is CCOC1=NCc2ccccc2C1.
What is the InChIKey of 3-ethoxy-1,4-dihydroisoquinoline?
The InChIKey is BJBZDVJEJGGSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-13-11-7-9-5-3-4-6-10(9)8-12-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 3-ethoxy-1,4-dihydroisoquinoline?
3-ethoxy-1,4-dihydroisoquinoline has a molecular weight of 175.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,4-dihydroisoquinoline is sourced from PubChem (CID 15047390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).