[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol

C14H18N2O2 — CID 61254873

IUPAC[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol
SMILESCN(C)CCOc1nc(CO)cc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-16(2)7-8-18-14-13-6-4-3-5-11(13)9-12(10-17)15-14/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyQTTCNDNPMBHOBK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.67
Rot. Bonds5

About [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol

[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol (PubChem CID 61254873) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol
PubChem CID61254873
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol
SMILESCN(C)CCOc1nc(CO)cc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-16(2)7-8-18-14-13-6-4-3-5-11(13)9-12(10-17)15-14/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyQTTCNDNPMBHOBK-UHFFFAOYSA-N
XLogP1.67
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(hydroxymethyl)isoquinolin-1-yl]oxypropan-1-ol
CID 61255721
[1-(3-methoxypropoxy)isoquinolin-3-yl]methanol
CID 61258186
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]isoquinolin-3-yl]methanol
CID 115942389
[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol
CID 63699924
1-[3-(dimethylamino)propoxy]isoquinoline-3-carboxylic acid
CID 61103650
N-[2-(3-butylisoquinolin-1-yl)oxyethyl]-N-methylpentan-1-amine
CID 91467584
[1-(3,5-dimethylphenoxy)isoquinolin-3-yl]methanol
CID 61255876
[1-(3,5-dimethylcyclohexyl)oxyisoquinolin-3-yl]methanol
CID 64728619
[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol
CID 63445899
N-benzyl-2-(3-butylisoquinolin-1-yl)oxy-N-methylethanamine
CID 70000985
(1-cyclobutyloxyisoquinolin-3-yl)methanol
CID 62141040
N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]ethanamine
CID 114470490

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol (CID 61254873) is [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol is CN(C)CCOc1nc(CO)cc2ccccc12.
What is the InChIKey of [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol?
The InChIKey is QTTCNDNPMBHOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(2)7-8-18-14-13-6-4-3-5-11(13)9-12(10-17)15-14/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol?
[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol is sourced from PubChem (CID 61254873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).