7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline

C15H21NO2 — CID 59396520

IUPAC7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline
SMILESCCc1ccc2c(c1)C(COCCOC)=NCC2
InChIInChI=1S/C15H21NO2/c1-3-12-4-5-13-6-7-16-15(14(13)10-12)11-18-9-8-17-2/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyVVGZVZIKLIFIKQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds6

About 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline

7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline (PubChem CID 59396520) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline
PubChem CID59396520
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline
SMILESCCc1ccc2c(c1)C(COCCOC)=NCC2
InChIInChI=1S/C15H21NO2/c1-3-12-4-5-13-6-7-16-15(14(13)10-12)11-18-9-8-17-2/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyVVGZVZIKLIFIKQ-UHFFFAOYSA-N
XLogP2.26
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline (CID 59396520) is 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline is CCc1ccc2c(c1)C(COCCOC)=NCC2.
What is the InChIKey of 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline?
The InChIKey is VVGZVZIKLIFIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12-4-5-13-6-7-16-15(14(13)10-12)11-18-9-8-17-2/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline?
7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline has a molecular weight of 247.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(2-methoxyethoxymethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 59396520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).