2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide

C13H18Cl2N2O2 — CID 43515707

IUPAC2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C13H18Cl2N2O2/c1-4-17-13(18)8(2)19-12-9(7-16-3)5-10(14)6-11(12)15/h5-6,8,16H,4,7H2,1-3H3,(H,17,18)
InChIKeyUREHUWUPVSVKPZ-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.62
Rot. Bonds6

About 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide (PubChem CID 43515707) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
PubChem CID43515707
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.21 g/mol
Exact Mass304.07
IUPAC Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C13H18Cl2N2O2/c1-4-17-13(18)8(2)19-12-9(7-16-3)5-10(14)6-11(12)15/h5-6,8,16H,4,7H2,1-3H3,(H,17,18)
InChIKeyUREHUWUPVSVKPZ-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
CID 43515713
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515774
N-cyclopropyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515770
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
CID 43516286
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907
2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
CID 60890212
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608703
methyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propanoate
CID 63058119
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide (CID 43515707) is 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CNC.
What is the InChIKey of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide?
The InChIKey is UREHUWUPVSVKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-4-17-13(18)8(2)19-12-9(7-16-3)5-10(14)6-11(12)15/h5-6,8,16H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide?
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide has a molecular weight of 305.21 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide is sourced from PubChem (CID 43515707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).