N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine

C14H15Cl2N3O — CID 66450434

IUPACN-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-9(2)18-7-11-6-17-8-14(19-11)20-13-4-3-10(15)5-12(13)16/h3-6,8-9,18H,7H2,1-2H3
InChIKeyJOZFNJZLNQEQEG-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.07
Rot. Bonds5

About N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66450434) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66450434
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-9(2)18-7-11-6-17-8-14(19-11)20-13-4-3-10(15)5-12(13)16/h3-6,8-9,18H,7H2,1-2H3
InChIKeyJOZFNJZLNQEQEG-UHFFFAOYSA-N
XLogP4.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine (CID 66450434) is N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is JOZFNJZLNQEQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-9(2)18-7-11-6-17-8-14(19-11)20-13-4-3-10(15)5-12(13)16/h3-6,8-9,18H,7H2,1-2H3.
What are the key properties of N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 312.20 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66450434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).