3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline

C14H21NO3 — CID 62374074

IUPAC3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2c(OC)cc(OC)c(OC)c2CN1
InChIInChI=1S/C14H21NO3/c1-5-9-6-10-11(8-15-9)14(18-4)13(17-3)7-12(10)16-2/h7,9,15H,5-6,8H2,1-4H3
InChIKeyAMZZBBZPSHYLLL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.14
Rot. Bonds4

About 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline

3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62374074) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID62374074
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2c(OC)cc(OC)c(OC)c2CN1
InChIInChI=1S/C14H21NO3/c1-5-9-6-10-11(8-15-9)14(18-4)13(17-3)7-12(10)16-2/h7,9,15H,5-6,8H2,1-4H3
InChIKeyAMZZBBZPSHYLLL-UHFFFAOYSA-N
XLogP2.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 83890605
(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 82131742
(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 95366245
N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine
CID 83957160
3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine
CID 5112022
5,6,8-trimethoxy-2,3-dihydro-1H-isoquinolin-4-one
CID 82048530
5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 82159265
[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 39345525
1-tert-butyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373438
2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159343
(2,5-dimethoxy-3-propylsulfanyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
CID 166922619
5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 66009081

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 62374074) is 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline is CCC1Cc2c(OC)cc(OC)c(OC)c2CN1.
What is the InChIKey of 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AMZZBBZPSHYLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-9-6-10-11(8-15-9)14(18-4)13(17-3)7-12(10)16-2/h7,9,15H,5-6,8H2,1-4H3.
What are the key properties of 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline?
3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 251.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62374074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).