2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine

C16H22N2O — CID 103143828

IUPAC2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1cccc2ccncc12
InChIInChI=1S/C16H22N2O/c1-4-16(3,19-5-2)15(17)13-8-6-7-12-9-10-18-11-14(12)13/h6-11,15H,4-5,17H2,1-3H3
InChIKeyIVAQQIICZOGUMU-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.44
Rot. Bonds5

About 2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine

2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine (PubChem CID 103143828) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine
PubChem CID103143828
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1cccc2ccncc12
InChIInChI=1S/C16H22N2O/c1-4-16(3,19-5-2)15(17)13-8-6-7-12-9-10-18-11-14(12)13/h6-11,15H,4-5,17H2,1-3H3
InChIKeyIVAQQIICZOGUMU-UHFFFAOYSA-N
XLogP3.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143830
2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol
CID 116752226
(2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine
CID 103140666
2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
CID 103143794
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
N,N-diethyl-1-hydrazinyl-1-isoquinolin-8-yl-2-methylpropan-2-amine
CID 103140329
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 116758404
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
(3-ethoxy-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141619
ethyl 3,4-dihydroxy-4-isoquinolin-8-ylbutanoate
CID 171897607

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine (CID 103143828) is 2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine is CCOC(C)(CC)C(N)c1cccc2ccncc12.
What is the InChIKey of 2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine?
The InChIKey is IVAQQIICZOGUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-16(3,19-5-2)15(17)13-8-6-7-12-9-10-18-11-14(12)13/h6-11,15H,4-5,17H2,1-3H3.
What are the key properties of 2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine?
2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.44, 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-8-yl-2-methylbutan-1-amine is sourced from PubChem (CID 103143828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).