N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine

C13H16N4O — CID 83064262

IUPACN-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCCOc1cccc(N)c1
InChIInChI=1S/C13H16N4O/c1-10-13(16-6-5-15-10)17-7-8-18-12-4-2-3-11(14)9-12/h2-6,9H,7-8,14H2,1H3,(H,16,17)
InChIKeyGQROLINMDYFAJN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine

N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine (PubChem CID 83064262) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine
PubChem CID83064262
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCCOc1cccc(N)c1
InChIInChI=1S/C13H16N4O/c1-10-13(16-6-5-15-10)17-7-8-18-12-4-2-3-11(14)9-12/h2-6,9H,7-8,14H2,1H3,(H,16,17)
InChIKeyGQROLINMDYFAJN-UHFFFAOYSA-N
XLogP1.86
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
CID 61031885
3-[2-(3-methylphenoxy)ethylamino]pyrazine-2-carbothioamide
CID 62683112
N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 63237716
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582766
N-[2-(3-aminophenoxy)ethyl]-5-fluoropyrimidin-2-amine
CID 113432130
3-[2-(4-methylsulfonylanilino)ethoxy]aniline
CID 61031379
3-[2-(ethylsulfamoylamino)ethoxy]aniline
CID 114804647
3-[2-(1-phenylethylamino)ethoxy]aniline
CID 112509070
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
N-(2-ethoxyethyl)-3-methylpyrazin-2-amine
CID 83064556
N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 63238026
N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine (CID 83064262) is N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine is Cc1nccnc1NCCOc1cccc(N)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine?
The InChIKey is GQROLINMDYFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-13(16-6-5-15-10)17-7-8-18-12-4-2-3-11(14)9-12/h2-6,9H,7-8,14H2,1H3,(H,16,17).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine?
N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 83064262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).