5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine

C13H14ClN3O — CID 103057871

IUPAC5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2ccc(Cl)c(C)c2)cn1
InChIInChI=1S/C13H14ClN3O/c1-9-5-11(3-4-12(9)14)18-8-10-6-17-13(15-2)7-16-10/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyIHSHROQXGYWIGN-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.06
Rot. Bonds4

About 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine

5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine (PubChem CID 103057871) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
PubChem CID103057871
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2ccc(Cl)c(C)c2)cn1
InChIInChI=1S/C13H14ClN3O/c1-9-5-11(3-4-12(9)14)18-8-10-6-17-13(15-2)7-16-10/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyIHSHROQXGYWIGN-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058876
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061736
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyrazin-2-amine
CID 103059157
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
[3-[[5-(methylamino)pyrazin-2-yl]methoxy]phenyl]methanol
CID 103058951
1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381641
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82298036
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine
CID 118657703

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine (CID 103057871) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine is CNc1cnc(COc2ccc(Cl)c(C)c2)cn1.
What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine?
The InChIKey is IHSHROQXGYWIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-5-11(3-4-12(9)14)18-8-10-6-17-13(15-2)7-16-10/h3-7H,8H2,1-2H3,(H,15,17).
What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine?
5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103057871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).