2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide

C11H14F2N2O2 — CID 79887348

IUPAC2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(F)cc(CN)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-2-15-10(16)6-17-11-8(12)3-7(5-14)4-9(11)13/h3-4H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyMJSUMAUXKCBLEW-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.94
Rot. Bonds5

About 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide

2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide (PubChem CID 79887348) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
PubChem CID79887348
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(F)cc(CN)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-2-15-10(16)6-17-11-8(12)3-7(5-14)4-9(11)13/h3-4H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyMJSUMAUXKCBLEW-UHFFFAOYSA-N
XLogP0.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921031
3-[4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorophenyl]prop-2-enoic acid
CID 79887974
N-butyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882497
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882213
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
N-(cyanomethyl)-2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 79891256
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-butylacetamide
CID 107741383
2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 79891340
3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79886481
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-ethylacetamide
CID 112621650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide (CID 79887348) is 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide is CCNC(=O)COc1c(F)cc(CN)cc1F.
What is the InChIKey of 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide?
The InChIKey is MJSUMAUXKCBLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-15-10(16)6-17-11-8(12)3-7(5-14)4-9(11)13/h3-4H,2,5-6,14H2,1H3,(H,15,16).
What are the key properties of 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide?
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide has a molecular weight of 244.24 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide is sourced from PubChem (CID 79887348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).