2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride

C14H22ClNO3 — CID 2912849

IUPAC2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1cccc(OC)c1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-4-15(5-2)9-10-18-14(16)12-7-6-8-13(11-12)17-3;/h6-8,11H,4-5,9-10H2,1-3H3;1H
InChIKeyJLLYBRADLHJSPR-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.62
Rot. Bonds7

About 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride

2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride (PubChem CID 2912849) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride
PubChem CID2912849
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1cccc(OC)c1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-4-15(5-2)9-10-18-14(16)12-7-6-8-13(11-12)17-3;/h6-8,11H,4-5,9-10H2,1-3H3;1H
InChIKeyJLLYBRADLHJSPR-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Parethoxycaine
CID 7183
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
Benzoylcholine chloride
CID 76298
3-(Heptyloxy)benzoic acid
CID 14368760
Butoxycaine
CID 16882
Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 197768
Butoxycaine Hydrochloride
CID 16881
4-[2-(Diethylamino)ethoxy]benzoic acid hydrochloride
CID 42937492
Methyl 3-(hexadecyloxy)benzoate
CID 4120205
Methyl 3-(dodecyloxy)benzoate
CID 5064578
Methyl 3-(tetradecyloxy)benzoate
CID 5152765
Ethyl 3-ethoxybenzoate
CID 221905

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride (CID 2912849) is 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride is CCN(CC)CCOC(=O)c1cccc(OC)c1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride?
The InChIKey is JLLYBRADLHJSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-4-15(5-2)9-10-18-14(16)12-7-6-8-13(11-12)17-3;/h6-8,11H,4-5,9-10H2,1-3H3;1H.
What are the key properties of 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride?
2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-methoxybenzoate;hydrochloride is sourced from PubChem (CID 2912849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).