ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride

C13H20ClNO3 — CID 162639918

IUPACethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
SMILESCCOC(=O)CCc1ccc(OCCN)cc1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-2-16-13(15)8-5-11-3-6-12(7-4-11)17-10-9-14;/h3-4,6-7H,2,5,8-10,14H2,1H3;1H
InChIKeyFQKJMVGQNGMUKH-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.94
Rot. Bonds7

About ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride

ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride (PubChem CID 162639918) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
PubChem CID162639918
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Nameethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
SMILESCCOC(=O)CCc1ccc(OCCN)cc1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-2-16-13(15)8-5-11-3-6-12(7-4-11)17-10-9-14;/h3-4,6-7H,2,5,8-10,14H2,1H3;1H
InChIKeyFQKJMVGQNGMUKH-UHFFFAOYSA-N
XLogP1.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4-(5-aminopentoxy)phenyl]propanoate
CID 162639923
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
ethyl 3-[4-(2-aminoethoxy)-3-fluorophenyl]propanoate;hydrochloride
CID 164576661
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
ethyl 3-[4-(2-aminoethoxy)-2-methylphenyl]propanoate
CID 164576670
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983
[4-(3-ethoxy-3-oxopropyl)phenoxy]boronic acid
CID 67296509
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938
ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate
CID 164576666
ethyl 3-[4-(5-phenoxypent-1-enyl)phenyl]propanoate
CID 69074158
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
ethyl 4-[4-(2-amino-2-oxoethyl)phenoxy]butanoate
CID 156541530

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride?
The IUPAC name of ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride (CID 162639918) is ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride?
The canonical SMILES for ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride is CCOC(=O)CCc1ccc(OCCN)cc1.Cl.
What is the InChIKey of ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride?
The InChIKey is FQKJMVGQNGMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3.ClH/c1-2-16-13(15)8-5-11-3-6-12(7-4-11)17-10-9-14;/h3-4,6-7H,2,5,8-10,14H2,1H3;1H.
What are the key properties of ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride?
ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride is sourced from PubChem (CID 162639918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).