N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine

C15H19N3O — CID 133335691

IUPACN-[2-(3-methylphenoxy)butyl]pyrazin-2-amine
SMILESCCC(CNc1cnccn1)Oc1cccc(C)c1
InChIInChI=1S/C15H19N3O/c1-3-13(10-18-15-11-16-7-8-17-15)19-14-6-4-5-12(2)9-14/h4-9,11,13H,3,10H2,1-2H3,(H,17,18)
InChIKeyJMBPURIGWYTYNB-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine

N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine (PubChem CID 133335691) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)butyl]pyrazin-2-amine
PubChem CID133335691
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-(3-methylphenoxy)butyl]pyrazin-2-amine
SMILESCCC(CNc1cnccn1)Oc1cccc(C)c1
InChIInChI=1S/C15H19N3O/c1-3-13(10-18-15-11-16-7-8-17-15)19-14-6-4-5-12(2)9-14/h4-9,11,13H,3,10H2,1-2H3,(H,17,18)
InChIKeyJMBPURIGWYTYNB-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine?
The IUPAC name of N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine (CID 133335691) is N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine.
What is the SMILES notation for N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine?
The canonical SMILES for N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine is CCC(CNc1cnccn1)Oc1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine?
The InChIKey is JMBPURIGWYTYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-13(10-18-15-11-16-7-8-17-15)19-14-6-4-5-12(2)9-14/h4-9,11,13H,3,10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine?
N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine is sourced from PubChem (CID 133335691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).