1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine

C13H14ClN3O — CID 107381641

IUPAC1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc(Cl)c(C)c2)cn1
InChIInChI=1S/C13H14ClN3O/c1-9-5-11(3-4-12(9)14)18-13-8-16-10(6-15-2)7-17-13/h3-5,7-8,15H,6H2,1-2H3
InChIKeyKIXBNJBHRNTLSD-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.95
Rot. Bonds4

About 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine

1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine (PubChem CID 107381641) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine
PubChem CID107381641
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc(Cl)c(C)c2)cn1
InChIInChI=1S/C13H14ClN3O/c1-9-5-11(3-4-12(9)14)18-13-8-16-10(6-15-2)7-17-13/h3-5,7-8,15H,6H2,1-2H3
InChIKeyKIXBNJBHRNTLSD-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine
CID 107381984
5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057871
1-[5-(5-chloroquinolin-8-yl)oxypyrazin-2-yl]-N-methylmethanamine
CID 107381926
N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
1-[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80623309
1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62323650
1-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80640424
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298102
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061736

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine (CID 107381641) is 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine is CNCc1cnc(Oc2ccc(Cl)c(C)c2)cn1.
What is the InChIKey of 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine?
The InChIKey is KIXBNJBHRNTLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-5-11(3-4-12(9)14)18-13-8-16-10(6-15-2)7-17-13/h3-5,7-8,15H,6H2,1-2H3.
What are the key properties of 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine?
1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine has a molecular weight of 263.73 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107381641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).