6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C18H21NO2 — CID 143954648

IUPAC6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(CC2NCCc3cc(OC)ccc32)cc1
InChIInChI=1S/C18H21NO2/c1-20-15-5-3-13(4-6-15)11-18-17-8-7-16(21-2)12-14(17)9-10-19-18/h3-8,12,18-19H,9-11H2,1-2H3
InChIKeyHTSJHRIWXKJDAW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.13
Rot. Bonds4

About 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 143954648) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID143954648
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(CC2NCCc3cc(OC)ccc32)cc1
InChIInChI=1S/C18H21NO2/c1-20-15-5-3-13(4-6-15)11-18-17-8-7-16(21-2)12-14(17)9-10-19-18/h3-8,12,18-19H,9-11H2,1-2H3
InChIKeyHTSJHRIWXKJDAW-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
(1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 7055406
6,7-diethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067834
[2-methoxy-5-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl] acetate
CID 53348424
7-ethoxy-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067832
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
CID 106778477
1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106779921
6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781104
4-bromo-2-methoxy-5-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 118001193

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 143954648) is 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is COc1ccc(CC2NCCc3cc(OC)ccc32)cc1.
What is the InChIKey of 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HTSJHRIWXKJDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-15-5-3-13(4-6-15)11-18-17-8-7-16(21-2)12-14(17)9-10-19-18/h3-8,12,18-19H,9-11H2,1-2H3.
What are the key properties of 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 283.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 143954648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).