2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline

C14H21NO3 — CID 110457114

IUPAC2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2cc(OC)c(OC)c(OC)c2C1
InChIInChI=1S/C14H21NO3/c1-5-15-7-6-10-8-12(16-2)14(18-4)13(17-3)11(10)9-15/h8H,5-7,9H2,1-4H3
InChIKeyMPHOPDCGPGBLHJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.09
Rot. Bonds4

About 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline

2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 110457114) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID110457114
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2cc(OC)c(OC)c(OC)c2C1
InChIInChI=1S/C14H21NO3/c1-5-15-7-6-10-8-12(16-2)14(18-4)13(17-3)11(10)9-15/h8H,5-7,9H2,1-4H3
InChIKeyMPHOPDCGPGBLHJ-UHFFFAOYSA-N
XLogP2.09
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 110457131
(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine
CID 83956740
2-ethyl-7-methoxy-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956831
N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956744
N-ethyl-N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 112721634
4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721637
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279849
5,6,7-trimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11086211
1,2,3,6,7,8-hexamethoxy-9,10-dihydroanthracene
CID 126606780
1-(2,3,4,5-tetramethoxy-6-methylphenyl)-4-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 162659122
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline (CID 110457114) is 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline is CCN1CCc2cc(OC)c(OC)c(OC)c2C1.
What is the InChIKey of 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is MPHOPDCGPGBLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-15-7-6-10-8-12(16-2)14(18-4)13(17-3)11(10)9-15/h8H,5-7,9H2,1-4H3.
What are the key properties of 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline?
2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 251.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110457114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).