2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol

C16H21NO2 — CID 116752226

IUPAC2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)c1cccc2cnccc12
InChIInChI=1S/C16H21NO2/c1-4-16(3,19-5-2)15(18)14-8-6-7-12-11-17-10-9-13(12)14/h6-11,15,18H,4-5H2,1-3H3
InChIKeyYDWGJOMNQFZMMB-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.47
Rot. Bonds5

About 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol

2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol (PubChem CID 116752226) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol
PubChem CID116752226
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)c1cccc2cnccc12
InChIInChI=1S/C16H21NO2/c1-4-16(3,19-5-2)15(18)14-8-6-7-12-11-17-10-9-13(12)14/h6-11,15,18H,4-5H2,1-3H3
InChIKeyYDWGJOMNQFZMMB-UHFFFAOYSA-N
XLogP3.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143828
2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143830
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
CID 105094595
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
CID 116725171
(1-isoquinolin-5-yl-2,2-dimethylbutyl)hydrazine
CID 105303126
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol
CID 62813667
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 116752097
1-isoquinolin-5-yl-3-sulfanylpropane-1,2-diol
CID 170820096

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol?
The IUPAC name of 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol (CID 116752226) is 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol?
The canonical SMILES for 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol is CCOC(C)(CC)C(O)c1cccc2cnccc12.
What is the InChIKey of 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol?
The InChIKey is YDWGJOMNQFZMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-16(3,19-5-2)15(18)14-8-6-7-12-11-17-10-9-13(12)14/h6-11,15,18H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol?
2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol is sourced from PubChem (CID 116752226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).