2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide

C12H17FN2O2 — CID 107716600

IUPAC2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(14-2)10-5-4-9(6-11(10)13)17-7-12(16)15-3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyWBQCTQPDCRQCNI-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.23
Rot. Bonds5

About 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide

2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide (PubChem CID 107716600) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
PubChem CID107716600
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(14-2)10-5-4-9(6-11(10)13)17-7-12(16)15-3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyWBQCTQPDCRQCNI-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470
methyl 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 107716503
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 107716703
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 107716497
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
CID 107717501
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 107716918
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide (CID 107716600) is 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C(C)NC)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide?
The InChIKey is WBQCTQPDCRQCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(14-2)10-5-4-9(6-11(10)13)17-7-12(16)15-3/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide?
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide has a molecular weight of 240.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 107716600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).