(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine

C16H21N3O — CID 79666525

IUPAC(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine
SMILESCCN1CCOC(C(N)c2cccc3cnccc23)C1
InChIInChI=1S/C16H21N3O/c1-2-19-8-9-20-15(11-19)16(17)14-5-3-4-12-10-18-7-6-13(12)14/h3-7,10,15-16H,2,8-9,11,17H2,1H3
InChIKeyHFKCCWRGLWILTC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.96
Rot. Bonds3

About (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine

(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine (PubChem CID 79666525) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine
PubChem CID79666525
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine
SMILESCCN1CCOC(C(N)c2cccc3cnccc23)C1
InChIInChI=1S/C16H21N3O/c1-2-19-8-9-20-15(11-19)16(17)14-5-3-4-12-10-18-7-6-13(12)14/h3-7,10,15-16H,2,8-9,11,17H2,1H3
InChIKeyHFKCCWRGLWILTC-UHFFFAOYSA-N
XLogP1.96
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinolin-5-yl-(4-methylmorpholin-2-yl)methanamine
CID 79092758
isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine
CID 79663744
1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
CID 65352259
(4-ethylmorpholin-2-yl)-isoquinolin-4-ylmethanol
CID 79666005
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine
CID 79657694
1-(4-ethylmorpholin-2-yl)-2-pyridin-4-ylethanamine
CID 79666705
(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688550
(7-chloro-1-benzofuran-2-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114729902
(4-ethylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 79667032
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine?
The IUPAC name of (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine (CID 79666525) is (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine.
What is the SMILES notation for (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine?
The canonical SMILES for (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine is CCN1CCOC(C(N)c2cccc3cnccc23)C1.
What is the InChIKey of (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine?
The InChIKey is HFKCCWRGLWILTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19-8-9-20-15(11-19)16(17)14-5-3-4-12-10-18-7-6-13(12)14/h3-7,10,15-16H,2,8-9,11,17H2,1H3.
What are the key properties of (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine?
(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine is sourced from PubChem (CID 79666525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).