5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine

C14H16ClN3O — CID 103059015

IUPAC5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(COc2ccc(C)cc2Cl)cn1
InChIInChI=1S/C14H16ClN3O/c1-3-16-14-8-17-11(7-18-14)9-19-13-5-4-10(2)6-12(13)15/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyRVHLKZJAQVLBHT-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.45
Rot. Bonds5

About 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine

5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine (PubChem CID 103059015) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
PubChem CID103059015
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(COc2ccc(C)cc2Cl)cn1
InChIInChI=1S/C14H16ClN3O/c1-3-16-14-8-17-11(7-18-14)9-19-13-5-4-10(2)6-12(13)15/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyRVHLKZJAQVLBHT-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058495
5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058135
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
5-[(2-chloro-4-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 55104810
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103058081
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
5-chloro-6-[(2,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 63484940
4-[(2-chloro-5-methylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466198
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
CID 103054684

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine (CID 103059015) is 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine is CCNc1cnc(COc2ccc(C)cc2Cl)cn1.
What is the InChIKey of 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine?
The InChIKey is RVHLKZJAQVLBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-16-14-8-17-11(7-18-14)9-19-13-5-4-10(2)6-12(13)15/h4-8H,3,9H2,1-2H3,(H,16,18).
What are the key properties of 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine?
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine has a molecular weight of 277.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103059015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).