2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide

C11H15FN2O2 — CID 78936103

IUPAC2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(F)ccc1[C@H](C)N
InChIInChI=1S/C11H15FN2O2/c1-7(13)9-4-3-8(12)5-10(9)16-6-11(15)14-2/h3-5,7H,6,13H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyJWBDYNUHOKVEEE-ZETCQYMHSA-N
MW226.25 g/mol
LogP0.97
Rot. Bonds4

About 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide

2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide (PubChem CID 78936103) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
PubChem CID78936103
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(F)ccc1[C@H](C)N
InChIInChI=1S/C11H15FN2O2/c1-7(13)9-4-3-8(12)5-10(9)16-6-11(15)14-2/h3-5,7H,6,13H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyJWBDYNUHOKVEEE-ZETCQYMHSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 78935744
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78935841
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63066536
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 63066535
3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
CID 63368106
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 63368165
3-[2-(1-aminoethyl)-5-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 79629205

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide (CID 78936103) is 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide is CNC(=O)COc1cc(F)ccc1[C@H](C)N.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide?
The InChIKey is JWBDYNUHOKVEEE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(13)9-4-3-8(12)5-10(9)16-6-11(15)14-2/h3-5,7H,6,13H2,1-2H3,(H,14,15)/t7-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide?
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide has a molecular weight of 226.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide is sourced from PubChem (CID 78936103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).