2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide

C11H15FN2O2 — CID 115901891

IUPAC2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
SMILESCOc1cccc(F)c1C(C)NCC(N)=O
InChIInChI=1S/C11H15FN2O2/c1-7(14-6-10(13)15)11-8(12)4-3-5-9(11)16-2/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyAMCYMJAOKPSKEJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.97
Rot. Bonds5

About 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide

2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide (PubChem CID 115901891) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
PubChem CID115901891
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
SMILESCOc1cccc(F)c1C(C)NCC(N)=O
InChIInChI=1S/C11H15FN2O2/c1-7(14-6-10(13)15)11-8(12)4-3-5-9(11)16-2/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyAMCYMJAOKPSKEJ-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 97334409
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 112700351
N-[(3,4-difluorophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655779
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide (CID 115901891) is 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide is COc1cccc(F)c1C(C)NCC(N)=O.
What is the InChIKey of 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide?
The InChIKey is AMCYMJAOKPSKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(14-6-10(13)15)11-8(12)4-3-5-9(11)16-2/h3-5,7,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide?
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide has a molecular weight of 226.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 115901891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).