N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine

C16H22N2O — CID 105143581

IUPACN-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1cccc2cnccc12
InChIInChI=1S/C16H22N2O/c1-4-18-16(11-19-12(2)3)15-7-5-6-13-10-17-9-8-14(13)15/h5-10,12,16,18H,4,11H2,1-3H3
InChIKeyYKILAWQJIMPRAE-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine

N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine (PubChem CID 105143581) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine
PubChem CID105143581
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1cccc2cnccc12
InChIInChI=1S/C16H22N2O/c1-4-18-16(11-19-12(2)3)15-7-5-6-13-10-17-9-8-14(13)15/h5-10,12,16,18H,4,11H2,1-3H3
InChIKeyYKILAWQJIMPRAE-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
CID 105143463
4-ethoxy-N-ethyl-1-isoquinolin-5-ylbutan-1-amine
CID 105143482
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
CID 62814012
N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine
CID 65132080
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
CID 105143467
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
1-(2-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 107985219
N-[(3-iodophenyl)-isoquinolin-5-ylmethyl]ethanamine
CID 115853165
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine?
The IUPAC name of N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine (CID 105143581) is N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine?
The canonical SMILES for N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1cccc2cnccc12.
What is the InChIKey of N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine?
The InChIKey is YKILAWQJIMPRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-18-16(11-19-12(2)3)15-7-5-6-13-10-17-9-8-14(13)15/h5-10,12,16,18H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine?
N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine has a molecular weight of 258.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105143581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).