N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide

C11H15FN2O2 — CID 102980804

IUPACN-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide
SMILESCc1ccc(F)cc1OCC(=O)NCCN
InChIInChI=1S/C11H15FN2O2/c1-8-2-3-9(12)6-10(8)16-7-11(15)14-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyPDJRFOUTCKBSEM-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.59
Rot. Bonds5

About N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide

N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide (PubChem CID 102980804) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide
PubChem CID102980804
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide
SMILESCc1ccc(F)cc1OCC(=O)NCCN
InChIInChI=1S/C11H15FN2O2/c1-8-2-3-9(12)6-10(8)16-7-11(15)14-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyPDJRFOUTCKBSEM-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119382771
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107694739
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
2-(2,4-difluorophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
CID 46478861
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide (CID 102980804) is N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide is Cc1ccc(F)cc1OCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide?
The InChIKey is PDJRFOUTCKBSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8-2-3-9(12)6-10(8)16-7-11(15)14-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide?
N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide has a molecular weight of 226.25 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide is sourced from PubChem (CID 102980804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).