6-ethoxy-1-methyl-3,4-dihydroisoquinoline

C12H15NO — CID 3029059

IUPAC6-ethoxy-1-methyl-3,4-dihydroisoquinoline
SMILESCCOc1ccc2c(c1)CCN=C2C
InChIInChI=1S/C12H15NO/c1-3-14-11-4-5-12-9(2)13-7-6-10(12)8-11/h4-5,8H,3,6-7H2,1-2H3
InChIKeyADXYBOKKVGONBT-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.45
Rot. Bonds2

About 6-ethoxy-1-methyl-3,4-dihydroisoquinoline

6-ethoxy-1-methyl-3,4-dihydroisoquinoline (PubChem CID 3029059) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-ethoxy-1-methyl-3,4-dihydroisoquinoline
PubChem CID3029059
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6-ethoxy-1-methyl-3,4-dihydroisoquinoline
SMILESCCOc1ccc2c(c1)CCN=C2C
InChIInChI=1S/C12H15NO/c1-3-14-11-4-5-12-9(2)13-7-6-10(12)8-11/h4-5,8H,3,6-7H2,1-2H3
InChIKeyADXYBOKKVGONBT-UHFFFAOYSA-N
XLogP2.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride
CID 54599714
(4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole
CID 45098059
6-butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride
CID 54604976
6-butoxy-1-[(E)-2-(5-methylfuran-2-yl)ethenyl]-3,4-dihydroisoquinoline
CID 22158222
6,19-diethoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,11,13,17(22),18,20-nonaene-12,13-dicarbonitrile
CID 134400793
6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline;hydrochloride
CID 22158294
13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene
CID 19095395
7-ethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;dihydrochloride
CID 159371166
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
1-benzyl-6-[(E)-but-2-enoxy]-3,4-dihydroisoquinoline
CID 11208554
2-(2,4-diethoxyphenyl)-1-methyl-4,5-dihydroimidazole
CID 110540242
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 6-ethoxy-1-methyl-3,4-dihydroisoquinoline (CID 3029059) is 6-ethoxy-1-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-ethoxy-1-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-ethoxy-1-methyl-3,4-dihydroisoquinoline is CCOc1ccc2c(c1)CCN=C2C.
What is the InChIKey of 6-ethoxy-1-methyl-3,4-dihydroisoquinoline?
The InChIKey is ADXYBOKKVGONBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-14-11-4-5-12-9(2)13-7-6-10(12)8-11/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 6-ethoxy-1-methyl-3,4-dihydroisoquinoline?
6-ethoxy-1-methyl-3,4-dihydroisoquinoline has a molecular weight of 189.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 3029059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).