5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

C12H17NO — CID 11790021

IUPAC5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCOc1cccc2c1CCN(C)C2
InChIInChI=1S/C12H17NO/c1-3-14-12-6-4-5-10-9-13(2)8-7-11(10)12/h4-6H,3,7-9H2,1-2H3
InChIKeyLYPLMSZHURTUIZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.07
Rot. Bonds2

About 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 11790021) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID11790021
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCOc1cccc2c1CCN(C)C2
InChIInChI=1S/C12H17NO/c1-3-14-12-6-4-5-10-9-13(2)8-7-11(10)12/h4-6H,3,7-9H2,1-2H3
InChIKeyLYPLMSZHURTUIZ-UHFFFAOYSA-N
XLogP2.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CID 11790021) is 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is CCOc1cccc2c1CCN(C)C2.
What is the InChIKey of 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is LYPLMSZHURTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-14-12-6-4-5-10-9-13(2)8-7-11(10)12/h4-6H,3,7-9H2,1-2H3.
What are the key properties of 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 191.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11790021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).