2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide

C11H15FN2O2 — CID 107665283

IUPAC2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(CN)cc1F
InChIInChI=1S/C11H15FN2O2/c1-14(2)11(15)7-16-10-4-3-8(6-13)5-9(10)12/h3-5H,6-7,13H2,1-2H3
InChIKeyYZTCGZUXQHGJAC-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.75
Rot. Bonds4

About 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide

2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide (PubChem CID 107665283) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
PubChem CID107665283
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(CN)cc1F
InChIInChI=1S/C11H15FN2O2/c1-14(2)11(15)7-16-10-4-3-8(6-13)5-9(10)12/h3-5H,6-7,13H2,1-2H3
InChIKeyYZTCGZUXQHGJAC-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide
CID 63599530
2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide
CID 107693152
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol
CID 107686395
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
CID 107686288
2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
CID 107686235
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone
CID 107665226
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
2-[2-fluoro-4-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]phenoxy]-N,N-dimethylacetamide
CID 23538327

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide (CID 107665283) is 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(CN)cc1F.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide?
The InChIKey is YZTCGZUXQHGJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-14(2)11(15)7-16-10-4-3-8(6-13)5-9(10)12/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide?
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide has a molecular weight of 226.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 107665283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).