2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide

C13H19FN2O2 — CID 43214750

IUPAC2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(C(C)NCC(=O)N(C)C)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9(15-8-13(17)16(2)3)10-5-6-12(18-4)11(14)7-10/h5-7,9,15H,8H2,1-4H3
InChIKeyHEEYQHDWIPOZSS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.57
Rot. Bonds5

About 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide

2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide (PubChem CID 43214750) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
PubChem CID43214750
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(C(C)NCC(=O)N(C)C)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9(15-8-13(17)16(2)3)10-5-6-12(18-4)11(14)7-10/h5-7,9,15H,8H2,1-4H3
InChIKeyHEEYQHDWIPOZSS-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 83069532
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 115575005
N-cyclopropyl-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]acetamide
CID 43401121
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
CID 47011194
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide (CID 43214750) is 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide is COc1ccc(C(C)NCC(=O)N(C)C)cc1F.
What is the InChIKey of 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is HEEYQHDWIPOZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(15-8-13(17)16(2)3)10-5-6-12(18-4)11(14)7-10/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide?
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 254.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43214750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).