5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine

C18H18N2O — CID 102713763

IUPAC5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine
SMILESCCc1ccc(Oc2ccc(N)c3cnc(C)cc23)cc1
InChIInChI=1S/C18H18N2O/c1-3-13-4-6-14(7-5-13)21-18-9-8-17(19)16-11-20-12(2)10-15(16)18/h4-11H,3,19H2,1-2H3
InChIKeyCSFSHAXYJVRIOZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.48
Rot. Bonds3

About 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine

5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine (PubChem CID 102713763) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine.

Molecular Properties

Compound Name5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine
PubChem CID102713763
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine
SMILESCCc1ccc(Oc2ccc(N)c3cnc(C)cc23)cc1
InChIInChI=1S/C18H18N2O/c1-3-13-4-6-14(7-5-13)21-18-9-8-17(19)16-11-20-12(2)10-15(16)18/h4-11H,3,19H2,1-2H3
InChIKeyCSFSHAXYJVRIOZ-UHFFFAOYSA-N
XLogP4.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromo-3-methylphenoxy)-3-methylisoquinolin-8-amine
CID 102713897
5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine
CID 102713811
3-methyl-5-propan-2-yloxyisoquinolin-8-amine
CID 102713795
5-(4-bromo-2-fluorophenoxy)-3-methylisoquinolin-8-amine
CID 102713808
5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine
CID 103486457
5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine
CID 102713907
4-(4-ethylphenoxy)-2-methylaniline
CID 26190351
5-cycloheptyloxy-3-methylisoquinolin-8-amine
CID 102713835
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine
CID 102713792
3-methyl-5-(oxan-2-ylmethoxy)isoquinolin-8-amine
CID 102713794
3-methyl-5-methylsulfanylisoquinolin-8-amine
CID 102714120

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine?
The IUPAC name of 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine (CID 102713763) is 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine.
What is the SMILES notation for 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine?
The canonical SMILES for 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine is CCc1ccc(Oc2ccc(N)c3cnc(C)cc23)cc1.
What is the InChIKey of 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine?
The InChIKey is CSFSHAXYJVRIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-13-4-6-14(7-5-13)21-18-9-8-17(19)16-11-20-12(2)10-15(16)18/h4-11H,3,19H2,1-2H3.
What are the key properties of 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine?
5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine has a molecular weight of 278.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine is sourced from PubChem (CID 102713763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).