5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine

C15H20N2O2 — CID 103486457

IUPAC5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine
SMILESCCOCC(C)Oc1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C15H20N2O2/c1-4-18-9-11(3)19-15-6-5-14(16)13-8-17-10(2)7-12(13)15/h5-8,11H,4,9,16H2,1-3H3
InChIKeyKZVDMATWIXZJRG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.93
Rot. Bonds5

About 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine

5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine (PubChem CID 103486457) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine.

Molecular Properties

Compound Name5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine
PubChem CID103486457
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine
SMILESCCOCC(C)Oc1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C15H20N2O2/c1-4-18-9-11(3)19-15-6-5-14(16)13-8-17-10(2)7-12(13)15/h5-8,11H,4,9,16H2,1-3H3
InChIKeyKZVDMATWIXZJRG-UHFFFAOYSA-N
XLogP2.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-propan-2-yloxyisoquinolin-8-amine
CID 102713795
4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid
CID 103487183
5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine
CID 102713811
5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine
CID 102713763
5-N-(2-ethoxyethyl)-3-methylisoquinoline-5,8-diamine
CID 102713105
4-(1-ethoxypropan-2-yloxy)-2-methylaniline
CID 103486534
[4-(1-ethoxypropan-2-yloxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 103486328
3-methyl-5-(2-methylbutylsulfanyl)isoquinolin-8-amine
CID 107748011
5-cycloheptyloxy-3-methylisoquinolin-8-amine
CID 102713835
3-methyl-5-methylsulfanylisoquinolin-8-amine
CID 102714120
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol
CID 102713127
5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine
CID 102713907

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine?
The IUPAC name of 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine (CID 103486457) is 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine.
What is the SMILES notation for 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine?
The canonical SMILES for 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine is CCOCC(C)Oc1ccc(N)c2cnc(C)cc12.
What is the InChIKey of 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine?
The InChIKey is KZVDMATWIXZJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-18-9-11(3)19-15-6-5-14(16)13-8-17-10(2)7-12(13)15/h5-8,11H,4,9,16H2,1-3H3.
What are the key properties of 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine?
5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine has a molecular weight of 260.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine is sourced from PubChem (CID 103486457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).