2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine

C17H23N3O — CID 104504039

IUPAC2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine
SMILESCC1CN(C(CN)c2cncc3ccccc23)CC(C)O1
InChIInChI=1S/C17H23N3O/c1-12-10-20(11-13(2)21-12)17(7-18)16-9-19-8-14-5-3-4-6-15(14)16/h3-6,8-9,12-13,17H,7,10-11,18H2,1-2H3
InChIKeyJMLCGQGUYSJVTB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.34
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine

2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine (PubChem CID 104504039) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine
PubChem CID104504039
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine
SMILESCC1CN(C(CN)c2cncc3ccccc23)CC(C)O1
InChIInChI=1S/C17H23N3O/c1-12-10-20(11-13(2)21-12)17(7-18)16-9-19-8-14-5-3-4-6-15(14)16/h3-6,8-9,12-13,17H,7,10-11,18H2,1-2H3
InChIKeyJMLCGQGUYSJVTB-UHFFFAOYSA-N
XLogP2.34
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine (CID 104504039) is 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine is CC1CN(C(CN)c2cncc3ccccc23)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine?
The InChIKey is JMLCGQGUYSJVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-10-20(11-13(2)21-12)17(7-18)16-9-19-8-14-5-3-4-6-15(14)16/h3-6,8-9,12-13,17H,7,10-11,18H2,1-2H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine?
2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine is sourced from PubChem (CID 104504039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).