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

C14H20Cl2N2O2 — CID 60905923

IUPAC2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C14H20Cl2N2O2/c1-9(2)7-18-13(19)8-20-14-10(3-4-17)5-11(15)6-12(14)16/h5-6,9H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeyIBRFCOJJQQAZCN-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.65
Rot. Bonds7

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

2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 60905923) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
PubChem CID60905923
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C14H20Cl2N2O2/c1-9(2)7-18-13(19)8-20-14-10(3-4-17)5-11(15)6-12(14)16/h5-6,9H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeyIBRFCOJJQQAZCN-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
CID 54931009
3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
CID 54930692
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide
CID 113277203
4-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891456
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 43516177
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2433513
2,3,5-trichloro-6-[2-(2-methylpropylamino)-2-oxoethoxy]benzoate
CID 9114549
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666924
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488542
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide
CID 60907526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide (CID 60905923) is 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1c(Cl)cc(Cl)cc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is IBRFCOJJQQAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-9(2)7-18-13(19)8-20-14-10(3-4-17)5-11(15)6-12(14)16/h5-6,9H,3-4,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide?
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 319.23 g/mol, XLogP of 2.65, 7 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 60905923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).