2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide

C13H19FN2O2 — CID 51073531

IUPAC2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCOc1ccc(F)cc1)CC(=O)N(C)C
InChIInChI=1S/C13H19FN2O2/c1-15(2)13(17)10-16(3)8-9-18-12-6-4-11(14)5-7-12/h4-7H,8-10H2,1-3H3
InChIKeyPZJDFPNCXJHPCS-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.22
Rot. Bonds6

About 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide

2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide (PubChem CID 51073531) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
PubChem CID51073531
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCOc1ccc(F)cc1)CC(=O)N(C)C
InChIInChI=1S/C13H19FN2O2/c1-15(2)13(17)10-16(3)8-9-18-12-6-4-11(14)5-7-12/h4-7H,8-10H2,1-3H3
InChIKeyPZJDFPNCXJHPCS-UHFFFAOYSA-N
XLogP1.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
CID 34721565
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 99159904
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24534552
2-[2-(4-fluorophenoxy)ethyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 55431470
methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60681956
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 27245125
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 18094863
N-[(2-chlorophenyl)methyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 9333391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide (CID 51073531) is 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide is CN(CCOc1ccc(F)cc1)CC(=O)N(C)C.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is PZJDFPNCXJHPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-15(2)13(17)10-16(3)8-9-18-12-6-4-11(14)5-7-12/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide?
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 254.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 51073531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).