ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride

C13H20ClNO4 — CID 23160711

IUPACethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(O)c(OCCN(C)C)c1.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-4-17-13(16)10-5-6-11(15)12(9-10)18-8-7-14(2)3;/h5-6,9,15H,4,7-8H2,1-3H3;1H
InChIKeyQAHDJOYKJDIENJ-UHFFFAOYSA-N
MW289.76 g/mol
LogP1.93
Rot. Bonds6

About ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride

ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride (PubChem CID 23160711) has the molecular formula C13H20ClNO4 and a molecular weight of 289.76 g/mol. Its IUPAC name is ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride
PubChem CID23160711
Molecular FormulaC13H20ClNO4
Molecular Weight289.76 g/mol
Exact Mass289.11
IUPAC Nameethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(O)c(OCCN(C)C)c1.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-4-17-13(16)10-5-6-11(15)12(9-10)18-8-7-14(2)3;/h5-6,9,15H,4,7-8H2,1-3H3;1H
InChIKeyQAHDJOYKJDIENJ-UHFFFAOYSA-N
XLogP1.93
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996
[2-(dimethylamino)-3-methylpentyl] 4-hydroxy-3-propoxybenzoate
CID 74948625
2-(4-ethoxycarbonyl-2-hydroxyphenoxy)ethyl-trimethylazanium
CID 23160704
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038
2-methylpropyl 3-amino-4-[2-(dimethylamino)ethoxy]benzoate
CID 82057399
ethyl 4-[3-(dimethylamino)propyl]benzoate
CID 22908170
ethyl 3,4-bis(3-hydroxypropoxy)benzoate
CID 66647401
ethyl 3,4-diethoxybenzoate
CID 586407
3-(dimethylamino)propyl 3-amino-4-ethoxybenzoate
CID 114526416
ethyl 7-bromo-3-[2-(dimethylamino)ethoxy]naphthalene-2-carboxylate
CID 18476177
3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate
CID 2248948

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride?
The IUPAC name of ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride (CID 23160711) is ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride.
What is the SMILES notation for ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride?
The canonical SMILES for ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride is CCOC(=O)c1ccc(O)c(OCCN(C)C)c1.Cl.
What is the InChIKey of ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride?
The InChIKey is QAHDJOYKJDIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4.ClH/c1-4-17-13(16)10-5-6-11(15)12(9-10)18-8-7-14(2)3;/h5-6,9,15H,4,7-8H2,1-3H3;1H.
What are the key properties of ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride?
ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride has a molecular weight of 289.76 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride is sourced from PubChem (CID 23160711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).