7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline

C13H17NO — CID 59396637

IUPAC7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline
SMILESCCc1ccc2c(c1)C(COC)=NCC2
InChIInChI=1S/C13H17NO/c1-3-10-4-5-11-6-7-14-13(9-15-2)12(11)8-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyBVCHTVRQXJWYEY-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.24
Rot. Bonds3

About 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline

7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline (PubChem CID 59396637) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline
PubChem CID59396637
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline
SMILESCCc1ccc2c(c1)C(COC)=NCC2
InChIInChI=1S/C13H17NO/c1-3-10-4-5-11-6-7-14-13(9-15-2)12(11)8-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyBVCHTVRQXJWYEY-UHFFFAOYSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline (CID 59396637) is 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline is CCc1ccc2c(c1)C(COC)=NCC2.
What is the InChIKey of 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline?
The InChIKey is BVCHTVRQXJWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-10-4-5-11-6-7-14-13(9-15-2)12(11)8-10/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline?
7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline has a molecular weight of 203.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 59396637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).