2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide

C14H21FN2O2 — CID 107700208

IUPAC2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(F)cc1CCN
InChIInChI=1S/C14H21FN2O2/c1-3-17(4-2)14(18)10-19-13-6-5-12(15)9-11(13)7-8-16/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyKPRFHLOJIOCRQF-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.57
Rot. Bonds7

About 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide

2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide (PubChem CID 107700208) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
PubChem CID107700208
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(F)cc1CCN
InChIInChI=1S/C14H21FN2O2/c1-3-17(4-2)14(18)10-19-13-6-5-12(15)9-11(13)7-8-16/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyKPRFHLOJIOCRQF-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 107700484
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 107699900
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
CID 43141794
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
3-[[2-(2,4-difluorophenoxy)acetyl]-ethylamino]propanoic acid
CID 61007298
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
CID 107700382
2-(4-carbamothioyl-2-fluorophenoxy)-N,N-diethylacetamide
CID 107665931
4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
CID 107700545
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide (CID 107700208) is 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(F)cc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide?
The InChIKey is KPRFHLOJIOCRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-17(4-2)14(18)10-19-13-6-5-12(15)9-11(13)7-8-16/h5-6,9H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide?
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide has a molecular weight of 268.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 107700208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).