ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate

C13H18ClNO3 — CID 114321887

IUPACethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
SMILESCCOC(=O)COc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C13H18ClNO3/c1-3-17-13(16)8-18-12-6-4-5-11(14)10(12)7-9(2)15/h4-6,9H,3,7-8,15H2,1-2H3
InChIKeyHKHOEXHVJOQSQZ-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.17
Rot. Bonds6

About ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate

ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate (PubChem CID 114321887) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
PubChem CID114321887
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Nameethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
SMILESCCOC(=O)COc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C13H18ClNO3/c1-3-17-13(16)8-18-12-6-4-5-11(14)10(12)7-9(2)15/h4-6,9H,3,7-8,15H2,1-2H3
InChIKeyHKHOEXHVJOQSQZ-UHFFFAOYSA-N
XLogP2.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide
CID 114321885
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
CID 63802149
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate
CID 170892106

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate?
The IUPAC name of ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate (CID 114321887) is ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate is CCOC(=O)COc1cccc(Cl)c1CC(C)N.
What is the InChIKey of ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate?
The InChIKey is HKHOEXHVJOQSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-17-13(16)8-18-12-6-4-5-11(14)10(12)7-9(2)15/h4-6,9H,3,7-8,15H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate?
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate has a molecular weight of 271.74 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate is sourced from PubChem (CID 114321887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).