2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide

C12H16F2N2O2 — CID 79891642

IUPAC2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
SMILESCCNCc1cc(F)c(OC(C)C(N)=O)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-3-16-6-8-4-9(13)11(10(14)5-8)18-7(2)12(15)17/h4-5,7,16H,3,6H2,1-2H3,(H2,15,17)
InChIKeyUMFQVTQRQQERKE-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.33
Rot. Bonds6

About 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide

2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide (PubChem CID 79891642) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
PubChem CID79891642
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
SMILESCCNCc1cc(F)c(OC(C)C(N)=O)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-3-16-6-8-4-9(13)11(10(14)5-8)18-7(2)12(15)17/h4-5,7,16H,3,6H2,1-2H3,(H2,15,17)
InChIKeyUMFQVTQRQQERKE-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882227
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
N-cyclopropyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882235
ethyl 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]propanoate
CID 79892083
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide
CID 43622339
2-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 79883879
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 112609092
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide?
The IUPAC name of 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide (CID 79891642) is 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide is CCNCc1cc(F)c(OC(C)C(N)=O)c(F)c1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide?
The InChIKey is UMFQVTQRQQERKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-3-16-6-8-4-9(13)11(10(14)5-8)18-7(2)12(15)17/h4-5,7,16H,3,6H2,1-2H3,(H2,15,17).
What are the key properties of 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide?
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide has a molecular weight of 258.27 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide is sourced from PubChem (CID 79891642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).