N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine

C15H16FN3O — CID 104516220

IUPACN-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine
SMILESCOc1nccnc1-c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C15H16FN3O/c1-20-15-14(17-6-7-18-15)10-2-5-13(16)11(8-10)9-19-12-3-4-12/h2,5-8,12,19H,3-4,9H2,1H3
InChIKeyCBRROQVJEKHJAP-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.54
Rot. Bonds5

About N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine

N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine (PubChem CID 104516220) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine
PubChem CID104516220
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine
SMILESCOc1nccnc1-c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C15H16FN3O/c1-20-15-14(17-6-7-18-15)10-2-5-13(16)11(8-10)9-19-12-3-4-12/h2,5-8,12,19H,3-4,9H2,1H3
InChIKeyCBRROQVJEKHJAP-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine (CID 104516220) is N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine is COc1nccnc1-c1ccc(F)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is CBRROQVJEKHJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-20-15-14(17-6-7-18-15)10-2-5-13(16)11(8-10)9-19-12-3-4-12/h2,5-8,12,19H,3-4,9H2,1H3.
What are the key properties of N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 273.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 104516220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).