2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine

C17H24N2O — CID 103143806

IUPAC2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1cccc2ccncc12
InChIInChI=1S/C17H24N2O/c1-5-20-17(12(2)3)16(18-4)14-8-6-7-13-9-10-19-11-15(13)14/h6-12,16-18H,5H2,1-4H3
InChIKeyLGILTAOEDUWWCY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.56
Rot. Bonds6

About 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine

2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine (PubChem CID 103143806) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
PubChem CID103143806
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1cccc2ccncc12
InChIInChI=1S/C17H24N2O/c1-5-20-17(12(2)3)16(18-4)14-8-6-7-13-9-10-19-11-15(13)14/h6-12,16-18H,5H2,1-4H3
InChIKeyLGILTAOEDUWWCY-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
CID 103143798
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
CID 103143794
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine (CID 103143806) is 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine is CCOC(C(C)C)C(NC)c1cccc2ccncc12.
What is the InChIKey of 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine?
The InChIKey is LGILTAOEDUWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-20-17(12(2)3)16(18-4)14-8-6-7-13-9-10-19-11-15(13)14/h6-12,16-18H,5H2,1-4H3.
What are the key properties of 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine?
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 103143806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).