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

C10H12F2N2O2 — CID 79886402

IUPAC2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(F)cc(CN)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-14-9(15)5-16-10-7(11)2-6(4-13)3-8(10)12/h2-3H,4-5,13H2,1H3,(H,14,15)
InChIKeyVYHAXYXNRYFGLF-UHFFFAOYSA-N
MW230.21 g/mol
LogP0.55
Rot. Bonds4

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

2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide (PubChem CID 79886402) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
PubChem CID79886402
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(F)cc(CN)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-14-9(15)5-16-10-7(11)2-6(4-13)3-8(10)12/h2-3H,4-5,13H2,1H3,(H,14,15)
InChIKeyVYHAXYXNRYFGLF-UHFFFAOYSA-N
XLogP0.55
TPSA64.35 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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
CID 79887348
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
CID 79888347
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
4-(aminomethyl)-2,6-difluoro-N-methylbenzamide
CID 130594863
2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol
CID 79887012
3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79886481
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
N-(cyanomethyl)-2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 79891256
6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
CID 107702733
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 79891340

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide (CID 79886402) is 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide is CNC(=O)COc1c(F)cc(CN)cc1F.
What is the InChIKey of 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide?
The InChIKey is VYHAXYXNRYFGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-14-9(15)5-16-10-7(11)2-6(4-13)3-8(10)12/h2-3H,4-5,13H2,1H3,(H,14,15).
What are the key properties of 2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide?
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide has a molecular weight of 230.21 g/mol, XLogP of 0.55, 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]-N-methylacetamide is sourced from PubChem (CID 79886402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).