5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline

C23H31NO4 — CID 4620820

IUPAC5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1c(OC)ccc2c1CCNC2c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C23H31NO4/c1-6-27-23-18-11-12-24-22(17(18)8-10-20(23)25-4)16-7-9-19(21(13-16)26-5)28-14-15(2)3/h7-10,13,15,22,24H,6,11-12,14H2,1-5H3
InChIKeySZJAGXYQECYKAQ-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.37
Rot. Bonds8

About 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline

5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 4620820) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID4620820
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1c(OC)ccc2c1CCNC2c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C23H31NO4/c1-6-27-23-18-11-12-24-22(17(18)8-10-20(23)25-4)16-7-9-19(21(13-16)26-5)28-14-15(2)3/h7-10,13,15,22,24H,6,11-12,14H2,1-5H3
InChIKeySZJAGXYQECYKAQ-UHFFFAOYSA-N
XLogP4.37
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

6-ethoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 5237001
1-(4-chlorophenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3483670
5-ethoxy-6-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4672498
1-(3-tert-butyl-5-methylphenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4201765
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3542185
5-[3-methoxy-4-(2-methylpropoxy)phenyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 3540537
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
6,7-diethoxy-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 5178474
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
1-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3961457
6-ethoxy-1-[4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 4690847

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline (CID 4620820) is 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline is CCOc1c(OC)ccc2c1CCNC2c1ccc(OCC(C)C)c(OC)c1.
What is the InChIKey of 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SZJAGXYQECYKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-6-27-23-18-11-12-24-22(17(18)8-10-20(23)25-4)16-7-9-19(21(13-16)26-5)28-14-15(2)3/h7-10,13,15,22,24H,6,11-12,14H2,1-5H3.
What are the key properties of 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline?
5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 385.50 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-methoxy-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 4620820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).