6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline

C13H17NO2 — CID 172991298

IUPAC6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline
SMILESCOCc1cc2c(cc1COC)CCN=C2
InChIInChI=1S/C13H17NO2/c1-15-8-12-5-10-3-4-14-7-11(10)6-13(12)9-16-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyVRPSGAHDNIQJBB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.95
Rot. Bonds4

About 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline

6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline (PubChem CID 172991298) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline
PubChem CID172991298
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline
SMILESCOCc1cc2c(cc1COC)CCN=C2
InChIInChI=1S/C13H17NO2/c1-15-8-12-5-10-3-4-14-7-11(10)6-13(12)9-16-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyVRPSGAHDNIQJBB-UHFFFAOYSA-N
XLogP1.95
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline (CID 172991298) is 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline is COCc1cc2c(cc1COC)CCN=C2.
What is the InChIKey of 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline?
The InChIKey is VRPSGAHDNIQJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-8-12-5-10-3-4-14-7-11(10)6-13(12)9-16-2/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline?
6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline has a molecular weight of 219.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(methoxymethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 172991298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).