2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide

C11H15ClN2O3 — CID 104664187

IUPAC2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(CN)cc(Cl)cc1OC
InChIInChI=1S/C11H15ClN2O3/c1-14-10(15)6-17-11-7(5-13)3-8(12)4-9(11)16-2/h3-4H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyABXVKHUJJOPGNY-UHFFFAOYSA-N
MW258.70 g/mol
LogP0.93
Rot. Bonds5

About 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide

2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide (PubChem CID 104664187) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide
PubChem CID104664187
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(CN)cc(Cl)cc1OC
InChIInChI=1S/C11H15ClN2O3/c1-14-10(15)6-17-11-7(5-13)3-8(12)4-9(11)16-2/h3-4H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyABXVKHUJJOPGNY-UHFFFAOYSA-N
XLogP0.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104665072
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 104664230
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 104664126
4-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-methylbutanamide
CID 104666048
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
CID 104666110
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666924
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666010
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
CID 54931009
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 104664360
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 104666002
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-(2-cyanoethyl)acetamide
CID 104666875
[5-chloro-3-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 104664190

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide (CID 104664187) is 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide is CNC(=O)COc1c(CN)cc(Cl)cc1OC.
What is the InChIKey of 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide?
The InChIKey is ABXVKHUJJOPGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-14-10(15)6-17-11-7(5-13)3-8(12)4-9(11)16-2/h3-4H,5-6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide?
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide has a molecular weight of 258.70 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 104664187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).