2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide

C15H23FN2O2 — CID 63066754

IUPAC2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
SMILESCCCNC(C)c1ccc(F)cc1OCC(=O)N(C)C
InChIInChI=1S/C15H23FN2O2/c1-5-8-17-11(2)13-7-6-12(16)9-14(13)20-10-15(19)18(3)4/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyFXQOORNCZUGPFR-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.35
Rot. Bonds7

About 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide

2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 63066754) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
PubChem CID63066754
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
SMILESCCCNC(C)c1ccc(F)cc1OCC(=O)N(C)C
InChIInChI=1S/C15H23FN2O2/c1-5-8-17-11(2)13-7-6-12(16)9-14(13)20-10-15(19)18(3)4/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyFXQOORNCZUGPFR-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 82000377
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 78932583
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 63366000
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide
CID 63066740
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63065346

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide (CID 63066754) is 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide is CCCNC(C)c1ccc(F)cc1OCC(=O)N(C)C.
What is the InChIKey of 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is FXQOORNCZUGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-8-17-11(2)13-7-6-12(16)9-14(13)20-10-15(19)18(3)4/h6-7,9,11,17H,5,8,10H2,1-4H3.
What are the key properties of 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide?
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 282.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 63066754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).