7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline

C13H19NO2 — CID 105477768

IUPAC7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCCC1CNCc2cc(OC)ccc21
InChIInChI=1S/C13H19NO2/c1-15-6-5-10-8-14-9-11-7-12(16-2)3-4-13(10)11/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyWOUIDQHWENVMHR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.92
Rot. Bonds4

About 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline

7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 105477768) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID105477768
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCCC1CNCc2cc(OC)ccc21
InChIInChI=1S/C13H19NO2/c1-15-6-5-10-8-14-9-11-7-12(16-2)3-4-13(10)11/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyWOUIDQHWENVMHR-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105463065
7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82127533
7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 161060246
5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 154454244
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82129109
4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 105491599
6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 84623888
(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169422
1-[2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 142685458
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 617484

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline (CID 105477768) is 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline is COCCC1CNCc2cc(OC)ccc21.
What is the InChIKey of 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WOUIDQHWENVMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-6-5-10-8-14-9-11-7-12(16-2)3-4-13(10)11/h3-4,7,10,14H,5-6,8-9H2,1-2H3.
What are the key properties of 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 221.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 105477768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).