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

C13H18F2N2O2 — CID 79887608

IUPAC2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-7(16)4-9-5-10(14)12(11(15)6-9)19-8(2)13(18)17-3/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyACRSNZIBVLDLCZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.37
Rot. Bonds5

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

2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide (PubChem CID 79887608) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
PubChem CID79887608
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-7(16)4-9-5-10(14)12(11(15)6-9)19-8(2)13(18)17-3/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyACRSNZIBVLDLCZ-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 79883879
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907
2-(2-amino-6-fluorophenoxy)-N-methylpropanamide
CID 104831459
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79887691
ethyl 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]propanoate
CID 79892083
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882227
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
N-cyclopropyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882235
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide (CID 79887608) is 2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1c(F)cc(CC(C)N)cc1F.
What is the InChIKey of 2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide?
The InChIKey is ACRSNZIBVLDLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-7(16)4-9-5-10(14)12(11(15)6-9)19-8(2)13(18)17-3/h5-8H,4,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide?
2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide has a molecular weight of 272.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 79887608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).