2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide

C14H21FN2O2 — CID 107717208

IUPAC2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
SMILESCCNC(C)c1ccc(OCC(=O)N(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-5-16-10(2)12-7-6-11(8-13(12)15)19-9-14(18)17(3)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyDCIBPHNEMRIYJC-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.96
Rot. Bonds6

About 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide

2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide (PubChem CID 107717208) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
PubChem CID107717208
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
SMILESCCNC(C)c1ccc(OCC(=O)N(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-5-16-10(2)12-7-6-11(8-13(12)15)19-9-14(18)17(3)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyDCIBPHNEMRIYJC-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
CID 107717501
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
CID 107717321
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 82000377
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide (CID 107717208) is 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide is CCNC(C)c1ccc(OCC(=O)N(C)C)cc1F.
What is the InChIKey of 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide?
The InChIKey is DCIBPHNEMRIYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-5-16-10(2)12-7-6-11(8-13(12)15)19-9-14(18)17(3)4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide?
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide has a molecular weight of 268.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 107717208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).