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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Related Compounds

N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381797
N-[[5-(2,4,5-trichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381657
N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381682
N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107382383
N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62783784
N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107382420
N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928325
N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381290
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
N-[[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81315137

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).