1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline

C15H23NO2 — CID 82131364

IUPAC1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
SMILESCCC1NC(C)(C)Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C15H23NO2/c1-6-12-11-8-14(18-5)13(17-4)7-10(11)9-15(2,3)16-12/h7-8,12,16H,6,9H2,1-5H3
InChIKeyORYBDVIUCIJSDY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.08
Rot. Bonds3

About 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline

1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline (PubChem CID 82131364) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
PubChem CID82131364
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
SMILESCCC1NC(C)(C)Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C15H23NO2/c1-6-12-11-8-14(18-5)13(17-4)7-10(11)9-15(2,3)16-12/h7-8,12,16H,6,9H2,1-5H3
InChIKeyORYBDVIUCIJSDY-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 3957124
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline
CID 112511820
(3aS,8bR)-6-ethoxy-7-methoxy-3a-methyl-1,2,4,8b-tetrahydrocyclopenta[a]inden-3-one
CID 102267055
6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778754
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol
CID 7157311
(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
CID 147197844
1,3-bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-2-one
CID 54506652
1-(bromomethyl)-3,3,6,7-tetramethoxy-1,4-dihydroisochromene
CID 21319865
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 7157143
(2S)-1-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-2-ol
CID 101016948
(1R)-1-[[2-[2-[2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenyl]ethyl]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 102030471

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline (CID 82131364) is 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline is CCC1NC(C)(C)Cc2cc(OC)c(OC)cc21.
What is the InChIKey of 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline?
The InChIKey is ORYBDVIUCIJSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-12-11-8-14(18-5)13(17-4)7-10(11)9-15(2,3)16-12/h7-8,12,16H,6,9H2,1-5H3.
What are the key properties of 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline?
1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline has a molecular weight of 249.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 82131364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).