ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride

C14H22ClNO3 — CID 129318515

IUPACethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(CN(C)C)c1ccc(OC)cc1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-5-18-14(16)13(10-15(2)3)11-6-8-12(17-4)9-7-11;/h6-9,13H,5,10H2,1-4H3;1H
InChIKeyIGFQCXWQJNFNQZ-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.33
Rot. Bonds6

About ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride

ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride (PubChem CID 129318515) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride
PubChem CID129318515
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Nameethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(CN(C)C)c1ccc(OC)cc1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-5-18-14(16)13(10-15(2)3)11-6-8-12(17-4)9-7-11;/h6-9,13H,5,10H2,1-4H3;1H
InChIKeyIGFQCXWQJNFNQZ-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
CID 76958549
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate
CID 22123590
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate
CID 162356013
3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 54607588
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride?
The IUPAC name of ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride (CID 129318515) is ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride is CCOC(=O)C(CN(C)C)c1ccc(OC)cc1.Cl.
What is the InChIKey of ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride?
The InChIKey is IGFQCXWQJNFNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-5-18-14(16)13(10-15(2)3)11-6-8-12(17-4)9-7-11;/h6-9,13H,5,10H2,1-4H3;1H.
What are the key properties of ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride?
ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 129318515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).