2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride

C16H26ClNO5 — CID 54609530

IUPAC2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccc(OC)c(OC)c1OC.Cl
InChIInChI=1S/C16H25NO5.ClH/c1-6-17(7-2)10-11-22-16(18)12-8-9-13(19-3)15(21-5)14(12)20-4;/h8-9H,6-7,10-11H2,1-5H3;1H
InChIKeyKDYQDCKSGRBEFD-UHFFFAOYSA-N
MW347.84 g/mol
LogP2.63
Rot. Bonds9

About 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride

2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride (PubChem CID 54609530) has the molecular formula C16H26ClNO5 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
PubChem CID54609530
Molecular FormulaC16H26ClNO5
Molecular Weight347.84 g/mol
Exact Mass347.15
IUPAC Name2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccc(OC)c(OC)c1OC.Cl
InChIInChI=1S/C16H25NO5.ClH/c1-6-17(7-2)10-11-22-16(18)12-8-9-13(19-3)15(21-5)14(12)20-4;/h8-9H,6-7,10-11H2,1-5H3;1H
InChIKeyKDYQDCKSGRBEFD-UHFFFAOYSA-N
XLogP2.63
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CID 20292
2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
CID 30194766
2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
CID 2853546
methyl 2,3,4-trimethoxybenzenecarboperoxoate
CID 173266032
2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 115950843
[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride
CID 168984736
2-(diethylamino)ethyl 4-(butylamino)-2-methoxybenzoate
CID 23623505
2-(4-chlorophenyl)sulfanylethyl 2,3,4-trimethoxybenzoate
CID 7698513
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride
CID 159121513

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride (CID 54609530) is 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride is CCN(CC)CCOC(=O)c1ccc(OC)c(OC)c1OC.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride?
The InChIKey is KDYQDCKSGRBEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5.ClH/c1-6-17(7-2)10-11-22-16(18)12-8-9-13(19-3)15(21-5)14(12)20-4;/h8-9H,6-7,10-11H2,1-5H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride?
2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride has a molecular weight of 347.84 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride is sourced from PubChem (CID 54609530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).