2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide

C10H12F2N2O2 — CID 79886751

IUPAC2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
SMILESCC(Oc1c(F)cc(CN)cc1F)C(N)=O
InChIInChI=1S/C10H12F2N2O2/c1-5(10(14)15)16-9-7(11)2-6(4-13)3-8(9)12/h2-3,5H,4,13H2,1H3,(H2,14,15)
InChIKeyZUVLYAFQLHSSFY-UHFFFAOYSA-N
MW230.21 g/mol
LogP0.68
Rot. Bonds4

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

2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide (PubChem CID 79886751) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
PubChem CID79886751
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
SMILESCC(Oc1c(F)cc(CN)cc1F)C(N)=O
InChIInChI=1S/C10H12F2N2O2/c1-5(10(14)15)16-9-7(11)2-6(4-13)3-8(9)12/h2-3,5H,4,13H2,1H3,(H2,14,15)
InChIKeyZUVLYAFQLHSSFY-UHFFFAOYSA-N
XLogP0.68
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79891642
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79886481
2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 103566037
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
ethyl 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]propanoate
CID 79892083
N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882227
2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
CID 79887608
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide?
The IUPAC name of 2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide (CID 79886751) is 2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide is CC(Oc1c(F)cc(CN)cc1F)C(N)=O.
What is the InChIKey of 2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide?
The InChIKey is ZUVLYAFQLHSSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-5(10(14)15)16-9-7(11)2-6(4-13)3-8(9)12/h2-3,5H,4,13H2,1H3,(H2,14,15).
What are the key properties of 2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide?
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide has a molecular weight of 230.21 g/mol, XLogP of 0.68, 4 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]propanamide is sourced from PubChem (CID 79886751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).