N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine

C14H15F2N3O — CID 107382104

IUPACN-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Oc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C14H15F2N3O/c1-9(2)17-6-12-7-19-14(8-18-12)20-13-4-10(15)3-11(16)5-13/h3-5,7-9,17H,6H2,1-2H3
InChIKeyXBVXMTRSVPWWEO-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.05
Rot. Bonds5

About N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine

N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 107382104) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID107382104
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Oc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C14H15F2N3O/c1-9(2)17-6-12-7-19-14(8-18-12)20-13-4-10(15)3-11(16)5-13/h3-5,7-9,17H,6H2,1-2H3
InChIKeyXBVXMTRSVPWWEO-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
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-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine (CID 107382104) is N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cnc(Oc2cc(F)cc(F)c2)cn1.
What is the InChIKey of N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is XBVXMTRSVPWWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-9(2)17-6-12-7-19-14(8-18-12)20-13-4-10(15)3-11(16)5-13/h3-5,7-9,17H,6H2,1-2H3.
What are the key properties of N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 279.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107382104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).