6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline

C16H25NO2 — CID 106778754

IUPAC6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC(C)CC1NCCc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H25NO2/c1-5-11(2)8-14-13-10-16(19-4)15(18-3)9-12(13)6-7-17-14/h9-11,14,17H,5-8H2,1-4H3
InChIKeyCLIDXWLBHPGXPH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.33
Rot. Bonds5

About 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106778754) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106778754
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC(C)CC1NCCc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H25NO2/c1-5-11(2)8-14-13-10-16(19-4)15(18-3)9-12(13)6-7-17-14/h9-11,14,17H,5-8H2,1-4H3
InChIKeyCLIDXWLBHPGXPH-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-2-ol
CID 101016948
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol
CID 7157311
(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10617348
1,3-bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-2-one
CID 54506652
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 7157143
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
(1R)-1-[[2-[2-[2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenyl]ethyl]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 102030471
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
6,7-dimethoxy-1-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 68647970
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12934313

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline (CID 106778754) is 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline is CCC(C)CC1NCCc2cc(OC)c(OC)cc21.
What is the InChIKey of 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CLIDXWLBHPGXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-11(2)8-14-13-10-16(19-4)15(18-3)9-12(13)6-7-17-14/h9-11,14,17H,5-8H2,1-4H3.
What are the key properties of 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106778754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).