6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C20H26ClNO2 — CID 90485238

IUPAC6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCCOc1cc2c(cc1OCC)C(c1ccccc1C)NCC2.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-4-22-18-12-15-10-11-21-20(16-9-7-6-8-14(16)3)17(15)13-19(18)23-5-2;/h6-9,12-13,20-21H,4-5,10-11H2,1-3H3;1H
InChIKeyHVOBEXNQMFZNNI-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.45
Rot. Bonds5

About 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 90485238) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID90485238
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCCOc1cc2c(cc1OCC)C(c1ccccc1C)NCC2.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-4-22-18-12-15-10-11-21-20(16-9-7-6-8-14(16)3)17(15)13-19(18)23-5-2;/h6-9,12-13,20-21H,4-5,10-11H2,1-3H3;1H
InChIKeyHVOBEXNQMFZNNI-UHFFFAOYSA-N
XLogP4.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 674048
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
1-(2,6-dimethylphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3948451
7-ethoxy-6-methoxy-1-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 5135970
(1S)-1-(3,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 672749
1-(1,3-benzodioxol-4-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485253
6,7-diethoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3994992
(1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 729201
7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 3395962
(1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672677
6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 52983529
2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 4040394

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 90485238) is 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CCOc1cc2c(cc1OCC)C(c1ccccc1C)NCC2.Cl.
What is the InChIKey of 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is HVOBEXNQMFZNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-4-22-18-12-15-10-11-21-20(16-9-7-6-8-14(16)3)17(15)13-19(18)23-5-2;/h6-9,12-13,20-21H,4-5,10-11H2,1-3H3;1H.
What are the key properties of 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 90485238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).