N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine

C14H16FN3O — CID 104516198

IUPACN-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2nccnc2OC)c1
InChIInChI=1S/C14H16FN3O/c1-3-16-9-10-4-5-12(15)11(8-10)13-14(19-2)18-7-6-17-13/h4-8,16H,3,9H2,1-2H3
InChIKeySVEMLEWXIIDICS-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.40
Rot. Bonds5

About N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine

N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine (PubChem CID 104516198) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine
PubChem CID104516198
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2nccnc2OC)c1
InChIInChI=1S/C14H16FN3O/c1-3-16-9-10-4-5-12(15)11(8-10)13-14(19-2)18-7-6-17-13/h4-8,16H,3,9H2,1-2H3
InChIKeySVEMLEWXIIDICS-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine (CID 104516198) is N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(-c2nccnc2OC)c1.
What is the InChIKey of N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine?
The InChIKey is SVEMLEWXIIDICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-16-9-10-4-5-12(15)11(8-10)13-14(19-2)18-7-6-17-13/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 104516198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).