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

C13H18F2N2O2 — CID 79887691

IUPAC3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
SMILESCC(N)Cc1cc(F)c(OCC(C)C(N)=O)c(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-7(13(17)18)6-19-12-10(14)4-9(3-8(2)16)5-11(12)15/h4-5,7-8H,3,6,16H2,1-2H3,(H2,17,18)
InChIKeyGBEPRQMNKXOKEE-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.35
Rot. Bonds6

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

3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide (PubChem CID 79887691) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
PubChem CID79887691
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
SMILESCC(N)Cc1cc(F)c(OCC(C)C(N)=O)c(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-7(13(17)18)6-19-12-10(14)4-9(3-8(2)16)5-11(12)15/h4-5,7-8H,3,6,16H2,1-2H3,(H2,17,18)
InChIKeyGBEPRQMNKXOKEE-UHFFFAOYSA-N
XLogP1.35
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79886481
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-2-methylpropanamide
CID 107739856
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
CID 112615431
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
CID 54929419
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114
2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
CID 79887608
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
4-(3-amino-2-methyl-3-oxopropoxy)-2-fluorobenzoic acid
CID 107675315

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide?
The IUPAC name of 3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide (CID 79887691) is 3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide is CC(N)Cc1cc(F)c(OCC(C)C(N)=O)c(F)c1.
What is the InChIKey of 3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide?
The InChIKey is GBEPRQMNKXOKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-7(13(17)18)6-19-12-10(14)4-9(3-8(2)16)5-11(12)15/h4-5,7-8H,3,6,16H2,1-2H3,(H2,17,18).
What are the key properties of 3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide?
3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide has a molecular weight of 272.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide is sourced from PubChem (CID 79887691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).