6-(2-methylpropoxy)-3,4-dihydroisoquinoline

C13H17NO — CID 19748099

IUPAC6-(2-methylpropoxy)-3,4-dihydroisoquinoline
SMILESCC(C)COc1ccc2c(c1)CCN=C2
InChIInChI=1S/C13H17NO/c1-10(2)9-15-13-4-3-12-8-14-6-5-11(12)7-13/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyBNDVGUDYJIFWIH-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.70
Rot. Bonds3

About 6-(2-methylpropoxy)-3,4-dihydroisoquinoline

6-(2-methylpropoxy)-3,4-dihydroisoquinoline (PubChem CID 19748099) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-(2-methylpropoxy)-3,4-dihydroisoquinoline
PubChem CID19748099
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name6-(2-methylpropoxy)-3,4-dihydroisoquinoline
SMILESCC(C)COc1ccc2c(c1)CCN=C2
InChIInChI=1S/C13H17NO/c1-10(2)9-15-13-4-3-12-8-14-6-5-11(12)7-13/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyBNDVGUDYJIFWIH-UHFFFAOYSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-3,4-dihydroisoquinoline?
The IUPAC name of 6-(2-methylpropoxy)-3,4-dihydroisoquinoline (CID 19748099) is 6-(2-methylpropoxy)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-(2-methylpropoxy)-3,4-dihydroisoquinoline?
The canonical SMILES for 6-(2-methylpropoxy)-3,4-dihydroisoquinoline is CC(C)COc1ccc2c(c1)CCN=C2.
What is the InChIKey of 6-(2-methylpropoxy)-3,4-dihydroisoquinoline?
The InChIKey is BNDVGUDYJIFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)9-15-13-4-3-12-8-14-6-5-11(12)7-13/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of 6-(2-methylpropoxy)-3,4-dihydroisoquinoline?
6-(2-methylpropoxy)-3,4-dihydroisoquinoline has a molecular weight of 203.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-3,4-dihydroisoquinoline is sourced from PubChem (CID 19748099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).