1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine

C16H20FN3O — CID 102612474

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
SMILESCOc1ccc(F)cc1C(C)NC(C)c1nccnc1C
InChIInChI=1S/C16H20FN3O/c1-10(14-9-13(17)5-6-15(14)21-4)20-12(3)16-11(2)18-7-8-19-16/h5-10,12,20H,1-4H3
InChIKeyNNMSIDKNVAWWIT-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.34
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine

1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine (PubChem CID 102612474) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
PubChem CID102612474
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
SMILESCOc1ccc(F)cc1C(C)NC(C)c1nccnc1C
InChIInChI=1S/C16H20FN3O/c1-10(14-9-13(17)5-6-15(14)21-4)20-12(3)16-11(2)18-7-8-19-16/h5-10,12,20H,1-4H3
InChIKeyNNMSIDKNVAWWIT-UHFFFAOYSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43728739
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43728698
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine
CID 133489990
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 119044004
4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613284
4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene
CID 112686064
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 64540777
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
CID 47372622
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
3-bromo-4-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613235

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine (CID 102612474) is 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine is COc1ccc(F)cc1C(C)NC(C)c1nccnc1C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
The InChIKey is NNMSIDKNVAWWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10(14-9-13(17)5-6-15(14)21-4)20-12(3)16-11(2)18-7-8-19-16/h5-10,12,20H,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine is sourced from PubChem (CID 102612474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).