2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride

C14H22ClNO4 — CID 2853546

IUPAC2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccc(OC)c(O)c1.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-4-15(5-2)8-9-19-14(17)11-6-7-13(18-3)12(16)10-11;/h6-7,10,16H,4-5,8-9H2,1-3H3;1H
InChIKeyFUPZCHDNIQEIAO-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.32
Rot. Bonds7

About 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride

2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride (PubChem CID 2853546) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
PubChem CID2853546
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccc(OC)c(O)c1.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-4-15(5-2)8-9-19-14(17)11-6-7-13(18-3)12(16)10-11;/h6-7,10,16H,4-5,8-9H2,1-3H3;1H
InChIKeyFUPZCHDNIQEIAO-UHFFFAOYSA-N
XLogP2.32
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 3-hydroxy-4-methoxybenzoate
CID 79556295
3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate
CID 2248948
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700
hexyl 3-hydroxy-4-methoxybenzoate
CID 3035997
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CID 20292
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;trihydrochloride
CID 67947052
2-(diethylamino)ethyl 4-(butylamino)-3-methoxybenzoate
CID 177300575
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
CID 54609530
2-(diethylamino)ethyl 4-butoxy-3-ethoxybenzoate
CID 23423702
2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
CID 2864468
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride (CID 2853546) is 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride is CCN(CC)CCOC(=O)c1ccc(OC)c(O)c1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride?
The InChIKey is FUPZCHDNIQEIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4.ClH/c1-4-15(5-2)8-9-19-14(17)11-6-7-13(18-3)12(16)10-11;/h6-7,10,16H,4-5,8-9H2,1-3H3;1H.
What are the key properties of 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride?
2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride is sourced from PubChem (CID 2853546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).