N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

C16H20ClN3O — CID 66468621

IUPACN-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Oc2cncc(CNC(C)(C)C)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-11-5-6-14(13(17)7-11)21-15-10-18-8-12(20-15)9-19-16(2,3)4/h5-8,10,19H,9H2,1-4H3
InChIKeyPFBNECQTGMYESX-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.12
Rot. Bonds4

About N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66468621) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66468621
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Oc2cncc(CNC(C)(C)C)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-11-5-6-14(13(17)7-11)21-15-10-18-8-12(20-15)9-19-16(2,3)4/h5-8,10,19H,9H2,1-4H3
InChIKeyPFBNECQTGMYESX-UHFFFAOYSA-N
XLogP4.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66451987
N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450434
N-[[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451225
N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine
CID 115498798
methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
CID 66457109
N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 62323581
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382234
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451944
1-[6-[(tert-butylamino)methyl]pyrazin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 79678942
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467768

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (CID 66468621) is N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(Oc2cncc(CNC(C)(C)C)n2)c(Cl)c1.
What is the InChIKey of N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PFBNECQTGMYESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-5-6-14(13(17)7-11)21-15-10-18-8-12(20-15)9-19-16(2,3)4/h5-8,10,19H,9H2,1-4H3.
What are the key properties of N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66468621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).