methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate

C11H14ClNO3 — CID 69211137

IUPACmethyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
SMILESCOC(=O)Cc1ccc(OCCN)c(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-15-11(14)7-8-2-3-10(9(12)6-8)16-5-4-13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyGNUBOFWMFCETPP-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.39
Rot. Bonds5

About methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate

methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate (PubChem CID 69211137) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
PubChem CID69211137
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Namemethyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
SMILESCOC(=O)Cc1ccc(OCCN)c(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-15-11(14)7-8-2-3-10(9(12)6-8)16-5-4-13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyGNUBOFWMFCETPP-UHFFFAOYSA-N
XLogP1.39
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide
CID 66552642
ethyl 2-[4-(4-bromobutoxy)-3-chlorophenyl]acetate
CID 139659897
[2-chloro-4-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 59627663
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
methyl 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]propanoate
CID 63949713
methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
CID 18956682
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610773
methyl 2-(3-chloro-4-formylphenyl)acetate
CID 59520437
methyl 4-(4-amino-2-chlorophenoxy)butanoate
CID 43377677

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate?
The IUPAC name of methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate (CID 69211137) is methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate.
What is the SMILES notation for methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate?
The canonical SMILES for methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate is COC(=O)Cc1ccc(OCCN)c(Cl)c1.
What is the InChIKey of methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate?
The InChIKey is GNUBOFWMFCETPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-15-11(14)7-8-2-3-10(9(12)6-8)16-5-4-13/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate?
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate has a molecular weight of 243.69 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate is sourced from PubChem (CID 69211137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).