[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine

C13H14FN3O — CID 117096809

IUPAC[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine
SMILESCC(Oc1ccc(CN)cc1F)c1cnccn1
InChIInChI=1S/C13H14FN3O/c1-9(12-8-16-4-5-17-12)18-13-3-2-10(7-15)6-11(13)14/h2-6,8-9H,7,15H2,1H3
InChIKeyNLDMADOWROXKGB-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.21
Rot. Bonds4

About [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine

[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine (PubChem CID 117096809) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine
PubChem CID117096809
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine
SMILESCC(Oc1ccc(CN)cc1F)c1cnccn1
InChIInChI=1S/C13H14FN3O/c1-9(12-8-16-4-5-17-12)18-13-3-2-10(7-15)6-11(13)14/h2-6,8-9H,7,15H2,1H3
InChIKeyNLDMADOWROXKGB-UHFFFAOYSA-N
XLogP2.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
CID 55096330
[3-fluoro-4-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine
CID 117096797
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550
4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid
CID 117053846
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818342
2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
CID 107665579
2-(1-ethoxyethyl)pyrazine
CID 71406239
[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82485077
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine (CID 117096809) is [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine is CC(Oc1ccc(CN)cc1F)c1cnccn1.
What is the InChIKey of [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine?
The InChIKey is NLDMADOWROXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9(12-8-16-4-5-17-12)18-13-3-2-10(7-15)6-11(13)14/h2-6,8-9H,7,15H2,1H3.
What are the key properties of [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine?
[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine has a molecular weight of 247.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 117096809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).