5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine

C17H16N2O2 — CID 43448916

IUPAC5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine
SMILESCOc1ccc(COc2ccc(N)c3cnccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-20-13-4-2-12(3-5-13)11-21-17-7-6-16(18)15-10-19-9-8-14(15)17/h2-10H,11,18H2,1H3
InChIKeyJJLZPMLHPKHICL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.40
Rot. Bonds4

About 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine

5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine (PubChem CID 43448916) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine
PubChem CID43448916
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine
SMILESCOc1ccc(COc2ccc(N)c3cnccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-20-13-4-2-12(3-5-13)11-21-17-7-6-16(18)15-10-19-9-8-14(15)17/h2-10H,11,18H2,1H3
InChIKeyJJLZPMLHPKHICL-UHFFFAOYSA-N
XLogP3.40
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.40
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

8-ethoxyisoquinolin-5-amine
CID 103139590
5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
CID 103176845
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine
CID 58373859
1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 166456018
8-propoxyisoquinolin-5-amine
CID 103139869
5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine
CID 106446795
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
CID 66079969
[4-(5-aminoisoquinolin-8-yl)oxyphenyl]methanol
CID 103139931
6-[(4-methoxyphenyl)methoxy]pyridine-2,3-diamine
CID 59437374
4-[(4-ethylphenyl)methoxy]naphthalen-1-amine
CID 63690640

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine (CID 43448916) is 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine is COc1ccc(COc2ccc(N)c3cnccc23)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine?
The InChIKey is JJLZPMLHPKHICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-13-4-2-12(3-5-13)11-21-17-7-6-16(18)15-10-19-9-8-14(15)17/h2-10H,11,18H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine?
5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine has a molecular weight of 280.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine is sourced from PubChem (CID 43448916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).