2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide

C12H16F2N2O2 — CID 79891352

IUPAC2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
SMILESCCNCc1cc(F)c(OCC(=O)NC)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-3-16-6-8-4-9(13)12(10(14)5-8)18-7-11(17)15-2/h4-5,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyLSKUQMQPTZEWLH-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.20
Rot. Bonds6

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

2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide (PubChem CID 79891352) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
PubChem CID79891352
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
SMILESCCNCc1cc(F)c(OCC(=O)NC)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-3-16-6-8-4-9(13)12(10(14)5-8)18-7-11(17)15-2/h4-5,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyLSKUQMQPTZEWLH-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882497
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882213
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
N-[[4-(2,3-dichloroprop-2-enoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79892169
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
CID 79887348
N-(cyanomethyl)-2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 79891256
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106450448
2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 79891340
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide
CID 79891359
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
CID 79888347

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide (CID 79891352) is 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide is CCNCc1cc(F)c(OCC(=O)NC)c(F)c1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide?
The InChIKey is LSKUQMQPTZEWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-3-16-6-8-4-9(13)12(10(14)5-8)18-7-11(17)15-2/h4-5,16H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide?
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide has a molecular weight of 258.27 g/mol, XLogP of 1.20, 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]-N-methylacetamide is sourced from PubChem (CID 79891352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).