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

C18H26N2O — CID 103143830

IUPAC2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
SMILESCCNC(c1cccc2ccncc12)C(C)(CC)OCC
InChIInChI=1S/C18H26N2O/c1-5-18(4,21-7-3)17(20-6-2)15-10-8-9-14-11-12-19-13-16(14)15/h8-13,17,20H,5-7H2,1-4H3
InChIKeyVQCBBIZZVGFERH-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.09
Rot. Bonds7

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

2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine (PubChem CID 103143830) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
PubChem CID103143830
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
SMILESCCNC(c1cccc2ccncc12)C(C)(CC)OCC
InChIInChI=1S/C18H26N2O/c1-5-18(4,21-7-3)17(20-6-2)15-10-8-9-14-11-12-19-13-16(14)15/h8-13,17,20H,5-7H2,1-4H3
InChIKeyVQCBBIZZVGFERH-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.09
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-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine
CID 103140666
1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759210
2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol
CID 116752226
N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
CID 116757964
2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116759381
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 103433948
N,N-diethyl-1-hydrazinyl-1-isoquinolin-8-yl-2-methylpropan-2-amine
CID 103140329
N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
CID 103136570
N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136162
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine (CID 103143830) is 2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine is CCNC(c1cccc2ccncc12)C(C)(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine?
The InChIKey is VQCBBIZZVGFERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-18(4,21-7-3)17(20-6-2)15-10-8-9-14-11-12-19-13-16(14)15/h8-13,17,20H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine?
2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine is sourced from PubChem (CID 103143830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).