2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride

C15H24ClNO2 — CID 138399963

IUPAC2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-5-16(6-2)7-8-18-15(17)14-10-12(3)9-13(4)11-14;/h9-11H,5-8H2,1-4H3;1H
InChIKeyCORLSPRSJQXMTP-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.22
Rot. Bonds6

About 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride

2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride (PubChem CID 138399963) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride
PubChem CID138399963
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-5-16(6-2)7-8-18-15(17)14-10-12(3)9-13(4)11-14;/h9-11H,5-8H2,1-4H3;1H
InChIKeyCORLSPRSJQXMTP-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
CID 3073386
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CID 20292
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride
CID 11756955
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
2-(diethylamino)ethyl 4-aminobenzoate tetrafluoroborate
CID 138319577
2-(diethylamino)ethyl 4-aminobenzoate azide
CID 20841990
[4-[2-(diethylamino)ethoxycarbonyl]phenyl]azanium chloride
CID 43833393
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700
2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride
CID 131884291
2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
CID 2853546
2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
CID 2864468

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride (CID 138399963) is 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride is CCN(CC)CCOC(=O)c1cc(C)cc(C)c1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride?
The InChIKey is CORLSPRSJQXMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-5-16(6-2)7-8-18-15(17)14-10-12(3)9-13(4)11-14;/h9-11H,5-8H2,1-4H3;1H.
What are the key properties of 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride?
2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride is sourced from PubChem (CID 138399963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).