8-(3-methylphenoxy)isoquinolin-5-amine

C16H14N2O — CID 103139672

IUPAC8-(3-methylphenoxy)isoquinolin-5-amine
SMILESCc1cccc(Oc2ccc(N)c3ccncc23)c1
InChIInChI=1S/C16H14N2O/c1-11-3-2-4-12(9-11)19-16-6-5-15(17)13-7-8-18-10-14(13)16/h2-10H,17H2,1H3
InChIKeyBHFXCAGBOVZLMQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.92
Rot. Bonds2

About 8-(3-methylphenoxy)isoquinolin-5-amine

8-(3-methylphenoxy)isoquinolin-5-amine (PubChem CID 103139672) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 8-(3-methylphenoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(3-methylphenoxy)isoquinolin-5-amine
PubChem CID103139672
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name8-(3-methylphenoxy)isoquinolin-5-amine
SMILESCc1cccc(Oc2ccc(N)c3ccncc23)c1
InChIInChI=1S/C16H14N2O/c1-11-3-2-4-12(9-11)19-16-6-5-15(17)13-7-8-18-10-14(13)16/h2-10H,17H2,1H3
InChIKeyBHFXCAGBOVZLMQ-UHFFFAOYSA-N
XLogP3.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.92
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

8-(3,5-dichlorophenoxy)isoquinolin-5-amine
CID 103139890
8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine
CID 103140085
5-(2-methoxy-4-methylphenoxy)isoquinolin-8-amine
CID 43448887
8-(1,3-benzodioxol-5-yloxy)isoquinolin-5-amine
CID 103139764
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
8-(2,4,5-trichlorophenoxy)isoquinolin-5-amine
CID 103139705
2,4-bis(3-methylphenoxy)aniline
CID 34173748
8-(2,3-dichlorophenoxy)isoquinolin-5-amine
CID 103139757
4-(3-methylphenoxy)quinolin-8-amine
CID 83061210
[4-(5-aminoisoquinolin-8-yl)oxyphenyl]methanol
CID 103139931
8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine
CID 103140084
8-(2-iodophenoxy)isoquinolin-5-amine
CID 103139878

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylphenoxy)isoquinolin-5-amine?
The IUPAC name of 8-(3-methylphenoxy)isoquinolin-5-amine (CID 103139672) is 8-(3-methylphenoxy)isoquinolin-5-amine.
What is the SMILES notation for 8-(3-methylphenoxy)isoquinolin-5-amine?
The canonical SMILES for 8-(3-methylphenoxy)isoquinolin-5-amine is Cc1cccc(Oc2ccc(N)c3ccncc23)c1.
What is the InChIKey of 8-(3-methylphenoxy)isoquinolin-5-amine?
The InChIKey is BHFXCAGBOVZLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-3-2-4-12(9-11)19-16-6-5-15(17)13-7-8-18-10-14(13)16/h2-10H,17H2,1H3.
What are the key properties of 8-(3-methylphenoxy)isoquinolin-5-amine?
8-(3-methylphenoxy)isoquinolin-5-amine has a molecular weight of 250.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylphenoxy)isoquinolin-5-amine is sourced from PubChem (CID 103139672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).