5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine

C12H11Cl2N3O — CID 103058876

IUPAC5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H11Cl2N3O/c1-15-12-6-16-8(5-17-12)7-18-9-2-3-10(13)11(14)4-9/h2-6H,7H2,1H3,(H,15,17)
InChIKeyIJFVCHKYCNLUHW-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.40
Rot. Bonds4

About 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine

5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine (PubChem CID 103058876) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
PubChem CID103058876
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H11Cl2N3O/c1-15-12-6-16-8(5-17-12)7-18-9-2-3-10(13)11(14)4-9/h2-6H,7H2,1H3,(H,15,17)
InChIKeyIJFVCHKYCNLUHW-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057871
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyrazin-2-amine
CID 103059157
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061736
N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine
CID 103058486
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
[3-[[5-(methylamino)pyrazin-2-yl]methoxy]phenyl]methanol
CID 103058951
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
1-[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62485760
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
5-(hexoxymethyl)-N-methylpyrazin-2-amine
CID 103058547

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine (CID 103058876) is 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine is CNc1cnc(COc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine?
The InChIKey is IJFVCHKYCNLUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-15-12-6-16-8(5-17-12)7-18-9-2-3-10(13)11(14)4-9/h2-6H,7H2,1H3,(H,15,17).
What are the key properties of 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine?
5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine has a molecular weight of 284.15 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103058876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).