3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine

C16H15N3O2 — CID 102988229

IUPAC3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine
SMILESCOCc1cccc(Oc2nc3ccccc3nc2N)c1
InChIInChI=1S/C16H15N3O2/c1-20-10-11-5-4-6-12(9-11)21-16-15(17)18-13-7-2-3-8-14(13)19-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyJDVGIZNPEPIOIA-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.15
Rot. Bonds4

About 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine

3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine (PubChem CID 102988229) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine
PubChem CID102988229
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine
SMILESCOCc1cccc(Oc2nc3ccccc3nc2N)c1
InChIInChI=1S/C16H15N3O2/c1-20-10-11-5-4-6-12(9-11)21-16-15(17)18-13-7-2-3-8-14(13)19-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyJDVGIZNPEPIOIA-UHFFFAOYSA-N
XLogP3.15
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)methoxy]quinoxalin-2-amine
CID 102987596
3-(3-ethoxyphenoxy)quinoxalin-2-amine
CID 102988134
4-[3-(methoxymethyl)phenoxy]quinolin-3-amine
CID 103963726
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
[3-[3-(methoxymethyl)phenoxy]pyrazin-2-yl]methanamine
CID 63984754
6-[3-(methoxymethyl)phenoxy]-5-nitropyrimidin-4-amine
CID 80876502
[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
CID 80508065
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344
2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
CID 80941964
6-[3-(methoxymethyl)phenoxy]-2-propoxypyridin-3-amine
CID 63986940

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine (CID 102988229) is 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine is COCc1cccc(Oc2nc3ccccc3nc2N)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine?
The InChIKey is JDVGIZNPEPIOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-10-11-5-4-6-12(9-11)21-16-15(17)18-13-7-2-3-8-14(13)19-16/h2-9H,10H2,1H3,(H2,17,18).
What are the key properties of 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine?
3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine has a molecular weight of 281.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine is sourced from PubChem (CID 102988229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).