1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine

C15H17F2N3O — CID 162549099

IUPAC1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine
SMILESCCC(F)(F)c1ccc(Oc2nccnc2CNC)cc1
InChIInChI=1S/C15H17F2N3O/c1-3-15(16,17)11-4-6-12(7-5-11)21-14-13(10-18-2)19-8-9-20-14/h4-9,18H,3,10H2,1-2H3
InChIKeyCRPBNIUDORBLHS-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.49
Rot. Bonds6

About 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine

1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine (PubChem CID 162549099) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine
PubChem CID162549099
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine
SMILESCCC(F)(F)c1ccc(Oc2nccnc2CNC)cc1
InChIInChI=1S/C15H17F2N3O/c1-3-15(16,17)11-4-6-12(7-5-11)21-14-13(10-18-2)19-8-9-20-14/h4-9,18H,3,10H2,1-2H3
InChIKeyCRPBNIUDORBLHS-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine (CID 162549099) is 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine is CCC(F)(F)c1ccc(Oc2nccnc2CNC)cc1.
What is the InChIKey of 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine?
The InChIKey is CRPBNIUDORBLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-3-15(16,17)11-4-6-12(7-5-11)21-14-13(10-18-2)19-8-9-20-14/h4-9,18H,3,10H2,1-2H3.
What are the key properties of 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine?
1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine has a molecular weight of 293.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,1-difluoropropyl)phenoxy]pyrazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 162549099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).