ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride

C18H22ClNO4 — CID 23458283

IUPACethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride
SMILESCCOC(=O)C(OC)C(Oc1ccccc1N)c1ccccc1.Cl
InChIInChI=1S/C18H21NO4.ClH/c1-3-22-18(20)17(21-2)16(13-9-5-4-6-10-13)23-15-12-8-7-11-14(15)19;/h4-12,16-17H,3,19H2,1-2H3;1H
InChIKeyAIZBJJXPAKWJSL-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.39
Rot. Bonds7

About ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride

ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride (PubChem CID 23458283) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride
PubChem CID23458283
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Nameethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride
SMILESCCOC(=O)C(OC)C(Oc1ccccc1N)c1ccccc1.Cl
InChIInChI=1S/C18H21NO4.ClH/c1-3-22-18(20)17(21-2)16(13-9-5-4-6-10-13)23-15-12-8-7-11-14(15)19;/h4-12,16-17H,3,19H2,1-2H3;1H
InChIKeyAIZBJJXPAKWJSL-UHFFFAOYSA-N
XLogP3.39
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate
CID 14120230
ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
CID 91748652
ethyl 2-acetyloxy-3-(2-methoxy-4-methylphenoxy)-3-phenylpropanoate
CID 10833081
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
CID 46307329
2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one
CID 46307352
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
3-ethoxy-3-oxo-2-phenylpropanoic acid;hydrochloride
CID 70417854
2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one
CID 46307345
2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
CID 46307454

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride?
The IUPAC name of ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride (CID 23458283) is ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride?
The canonical SMILES for ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride is CCOC(=O)C(OC)C(Oc1ccccc1N)c1ccccc1.Cl.
What is the InChIKey of ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride?
The InChIKey is AIZBJJXPAKWJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4.ClH/c1-3-22-18(20)17(21-2)16(13-9-5-4-6-10-13)23-15-12-8-7-11-14(15)19;/h4-12,16-17H,3,19H2,1-2H3;1H.
What are the key properties of ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride?
ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 23458283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).