3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide

C11H14F2N2O2 — CID 79886481

IUPAC3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
SMILESCC(COc1c(F)cc(CN)cc1F)C(N)=O
InChIInChI=1S/C11H14F2N2O2/c1-6(11(15)16)5-17-10-8(12)2-7(4-14)3-9(10)13/h2-3,6H,4-5,14H2,1H3,(H2,15,16)
InChIKeyBSVUBOGPAHGWOO-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.92
Rot. Bonds5

About 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide

3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide (PubChem CID 79886481) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
PubChem CID79886481
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
SMILESCC(COc1c(F)cc(CN)cc1F)C(N)=O
InChIInChI=1S/C11H14F2N2O2/c1-6(11(15)16)5-17-10-8(12)2-7(4-14)3-9(10)13/h2-3,6H,4-5,14H2,1H3,(H2,15,16)
InChIKeyBSVUBOGPAHGWOO-UHFFFAOYSA-N
XLogP0.92
TPSA78.34 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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79887691
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114
[3,5-difluoro-4-(4-methylpentoxy)phenyl]methanamine
CID 81294772
4-(3-amino-2-methyl-3-oxopropoxy)-2-fluorobenzoic acid
CID 107675315
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
CID 79887348
3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
CID 54930692
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-2-methylpropanamide
CID 107739856

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide?
The IUPAC name of 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide (CID 79886481) is 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide is CC(COc1c(F)cc(CN)cc1F)C(N)=O.
What is the InChIKey of 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide?
The InChIKey is BSVUBOGPAHGWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6(11(15)16)5-17-10-8(12)2-7(4-14)3-9(10)13/h2-3,6H,4-5,14H2,1H3,(H2,15,16).
What are the key properties of 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide?
3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide has a molecular weight of 244.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide is sourced from PubChem (CID 79886481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).