5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine

C15H19N3O — CID 103058135

IUPAC5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(COc2cccc(C)c2C)cn1
InChIInChI=1S/C15H19N3O/c1-4-16-15-9-17-13(8-18-15)10-19-14-7-5-6-11(2)12(14)3/h5-9H,4,10H2,1-3H3,(H,16,18)
InChIKeyRYHQTOPPISZFNK-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.10
Rot. Bonds5

About 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine

5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine (PubChem CID 103058135) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine
PubChem CID103058135
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(COc2cccc(C)c2C)cn1
InChIInChI=1S/C15H19N3O/c1-4-16-15-9-17-13(8-18-15)10-19-14-7-5-6-11(2)12(14)3/h5-9H,4,10H2,1-3H3,(H,16,18)
InChIKeyRYHQTOPPISZFNK-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 107660720
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine
CID 103057962
4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
N-ethyl-5-[(2-fluorophenyl)methoxymethyl]pyrazin-2-amine
CID 103059095
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452788
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907961

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine (CID 103058135) is 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine is CCNc1cnc(COc2cccc(C)c2C)cn1.
What is the InChIKey of 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine?
The InChIKey is RYHQTOPPISZFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-16-15-9-17-13(8-18-15)10-19-14-7-5-6-11(2)12(14)3/h5-9H,4,10H2,1-3H3,(H,16,18).
What are the key properties of 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine?
5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103058135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).