2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide

C11H14Cl2N2O2 — CID 54931009

IUPAC2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C11H14Cl2N2O2/c1-15-10(16)6-17-11-7(2-3-14)4-8(12)5-9(11)13/h4-5H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyBAMOINHRRYFDMA-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.62
Rot. Bonds5

About 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide

2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide (PubChem CID 54931009) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
PubChem CID54931009
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C11H14Cl2N2O2/c1-15-10(16)6-17-11-7(2-3-14)4-8(12)5-9(11)13/h4-5H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyBAMOINHRRYFDMA-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891456
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 43516177
4-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891161
3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
CID 54930692
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104664187
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488542
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666924
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
2-(2,4-dichloro-6-prop-2-enylphenoxy)acetohydrazide
CID 54849931

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide (CID 54931009) is 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide is CNC(=O)COc1c(Cl)cc(Cl)cc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide?
The InChIKey is BAMOINHRRYFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-15-10(16)6-17-11-7(2-3-14)4-8(12)5-9(11)13/h4-5H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide?
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide has a molecular weight of 277.15 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide is sourced from PubChem (CID 54931009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).