N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine

C15H18FN3O — CID 104516188

IUPACN-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2nccnc2OC)ccc1F
InChIInChI=1S/C15H18FN3O/c1-3-6-17-10-12-9-11(4-5-13(12)16)14-15(20-2)19-8-7-18-14/h4-5,7-9,17H,3,6,10H2,1-2H3
InChIKeyBDYRNTODOBHBIX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.79
Rot. Bonds6

About N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine

N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine (PubChem CID 104516188) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine
PubChem CID104516188
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2nccnc2OC)ccc1F
InChIInChI=1S/C15H18FN3O/c1-3-6-17-10-12-9-11(4-5-13(12)16)14-15(20-2)19-8-7-18-14/h4-5,7-9,17H,3,6,10H2,1-2H3
InChIKeyBDYRNTODOBHBIX-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine (CID 104516188) is N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine is CCCNCc1cc(-c2nccnc2OC)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine?
The InChIKey is BDYRNTODOBHBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-6-17-10-12-9-11(4-5-13(12)16)14-15(20-2)19-8-7-18-14/h4-5,7-9,17H,3,6,10H2,1-2H3.
What are the key properties of N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine?
N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine has a molecular weight of 275.33 g/mol, XLogP of 2.79, 6 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]propan-1-amine is sourced from PubChem (CID 104516188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).