1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate

C11H13Cl2NO3 — CID 16656830

IUPAC1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
SMILESCC(CN)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO3/c1-7(5-14)17-11(15)6-16-10-3-2-8(12)4-9(10)13/h2-4,7H,5-6,14H2,1H3
InChIKeyCBRCHHNSAUSQCY-UHFFFAOYSA-N
MW278.13 g/mol
LogP2.26
Rot. Bonds5

About 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate

1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 16656830) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
PubChem CID16656830
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
SMILESCC(CN)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO3/c1-7(5-14)17-11(15)6-16-10-3-2-8(12)4-9(10)13/h2-4,7H,5-6,14H2,1H3
InChIKeyCBRCHHNSAUSQCY-UHFFFAOYSA-N
XLogP2.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
[(2S)-pent-3-yn-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 98005192
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 932357
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid
CID 11361012
(1-amino-3-methyl-1-oxobut-3-en-2-yl) 2-(2,4-dichlorophenoxy)acetate
CID 70373402
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119581253
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate (CID 16656830) is 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate is CC(CN)OC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is CBRCHHNSAUSQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-7(5-14)17-11(15)6-16-10-3-2-8(12)4-9(10)13/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate?
1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 278.13 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 16656830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).