7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium

C18H20NO+ — CID 18691252

IUPAC7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium
SMILESCOc1ccc2c(c1)C=[N+](c1ccccc1C)C(C)C2
InChIInChI=1S/C18H20NO/c1-13-6-4-5-7-18(13)19-12-16-11-17(20-3)9-8-15(16)10-14(19)2/h4-9,11-12,14H,10H2,1-3H3/q+1
InChIKeyGTSMIWJDXZDRRT-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.71
Rot. Bonds2

About 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium

7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium (PubChem CID 18691252) has the molecular formula C18H20NO+ and a molecular weight of 266.36 g/mol. Its IUPAC name is 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium.

Molecular Properties

Compound Name7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium
PubChem CID18691252
Molecular FormulaC18H20NO+
Molecular Weight266.36 g/mol
Exact Mass266.15
IUPAC Name7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium
SMILESCOc1ccc2c(c1)C=[N+](c1ccccc1C)C(C)C2
InChIInChI=1S/C18H20NO/c1-13-6-4-5-7-18(13)19-12-16-11-17(20-3)9-8-15(16)10-14(19)2/h4-9,11-12,14H,10H2,1-3H3/q+1
InChIKeyGTSMIWJDXZDRRT-UHFFFAOYSA-N
XLogP3.71
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 12616525
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CID 66750543
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CID 45091183
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
3-(5-methoxy-1H-inden-2-yl)pyridine
CID 6540048
3-methoxy-5-methyl-9H-fluorene
CID 14977721
3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 115825727
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584
2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
CID 114287478
6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium
CID 166464665
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
6-methoxy-3-methyl-1,2-dihydroisoquinoline
CID 69142122

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium?
The IUPAC name of 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium (CID 18691252) is 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium.
What is the SMILES notation for 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium?
The canonical SMILES for 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium is COc1ccc2c(c1)C=[N+](c1ccccc1C)C(C)C2.
What is the InChIKey of 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium?
The InChIKey is GTSMIWJDXZDRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO/c1-13-6-4-5-7-18(13)19-12-16-11-17(20-3)9-8-15(16)10-14(19)2/h4-9,11-12,14H,10H2,1-3H3/q+1.
What are the key properties of 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium?
7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium has a molecular weight of 266.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-2-ium is sourced from PubChem (CID 18691252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).