6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline

C20H25NO2 — CID 3894099

IUPAC6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1ccc2c(c1)CCNC2c1cc(C)cc(C)c1OC
InChIInChI=1S/C20H25NO2/c1-5-23-16-6-7-17-15(12-16)8-9-21-19(17)18-11-13(2)10-14(3)20(18)22-4/h6-7,10-12,19,21H,5,8-9H2,1-4H3
InChIKeyXLSDMOXMRMAHOA-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.95
Rot. Bonds4

About 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline

6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3894099) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID3894099
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1ccc2c(c1)CCNC2c1cc(C)cc(C)c1OC
InChIInChI=1S/C20H25NO2/c1-5-23-16-6-7-17-15(12-16)8-9-21-19(17)18-11-13(2)10-14(3)20(18)22-4/h6-7,10-12,19,21H,5,8-9H2,1-4H3
InChIKeyXLSDMOXMRMAHOA-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-6-ethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3997787
1-(5-chloro-2-methoxy-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3965656
6,7-dimethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3885623
1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3964670
1-(4-methoxy-3,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3931164
2-[[1-(5-chloro-2-ethoxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-diethylethanamine
CID 4012672
1-chloro-6-ethoxy-1,2,3,4-tetrahydroisoquinoline
CID 164664996
1-(4,5-dimethoxy-2-nitrophenyl)-6-ethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4037737
N,N-diethyl-2-[[1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine
CID 3382143
6-ethoxy-1-[4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 4690847
2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 4646873
1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3521561

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 3894099) is 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline is CCOc1ccc2c(c1)CCNC2c1cc(C)cc(C)c1OC.
What is the InChIKey of 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XLSDMOXMRMAHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-23-16-6-7-17-15(12-16)8-9-21-19(17)18-11-13(2)10-14(3)20(18)22-4/h6-7,10-12,19,21H,5,8-9H2,1-4H3.
What are the key properties of 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 311.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3894099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).