6-(methoxymethyl)-3,4-dihydroisoquinoline

C11H13NO — CID 173278852

IUPAC6-(methoxymethyl)-3,4-dihydroisoquinoline
SMILESCOCc1ccc2c(c1)CCN=C2
InChIInChI=1S/C11H13NO/c1-13-8-9-2-3-11-7-12-5-4-10(11)6-9/h2-3,6-7H,4-5,8H2,1H3
InChIKeyNUVMLUQOOJAZIB-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.81
Rot. Bonds2

About 6-(methoxymethyl)-3,4-dihydroisoquinoline

6-(methoxymethyl)-3,4-dihydroisoquinoline (PubChem CID 173278852) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-(methoxymethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-(methoxymethyl)-3,4-dihydroisoquinoline
PubChem CID173278852
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-(methoxymethyl)-3,4-dihydroisoquinoline
SMILESCOCc1ccc2c(c1)CCN=C2
InChIInChI=1S/C11H13NO/c1-13-8-9-2-3-11-7-12-5-4-10(11)6-9/h2-3,6-7H,4-5,8H2,1H3
InChIKeyNUVMLUQOOJAZIB-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6-(methoxymethyl)-3,4-dihydroisoquinoline (CID 173278852) is 6-(methoxymethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-(methoxymethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6-(methoxymethyl)-3,4-dihydroisoquinoline is COCc1ccc2c(c1)CCN=C2.
What is the InChIKey of 6-(methoxymethyl)-3,4-dihydroisoquinoline?
The InChIKey is NUVMLUQOOJAZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-13-8-9-2-3-11-7-12-5-4-10(11)6-9/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 6-(methoxymethyl)-3,4-dihydroisoquinoline?
6-(methoxymethyl)-3,4-dihydroisoquinoline has a molecular weight of 175.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 173278852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).