2-(dimethylamino)ethyl benzoate;hydroiodide

C11H16INO2 — CID 2752377

IUPAC2-(dimethylamino)ethyl benzoate;hydroiodide
SMILESCN(C)CCOC(=O)c1ccccc1.I
InChIInChI=1S/C11H15NO2.HI/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKeyXIKQIIOXVWPLLW-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.02
Rot. Bonds4

About 2-(dimethylamino)ethyl benzoate;hydroiodide

2-(dimethylamino)ethyl benzoate;hydroiodide (PubChem CID 2752377) has the molecular formula C11H16INO2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl benzoate;hydroiodide.

Molecular Properties

Compound Name2-(dimethylamino)ethyl benzoate;hydroiodide
PubChem CID2752377
Molecular FormulaC11H16INO2
Molecular Weight321.16 g/mol
Exact Mass321.02
IUPAC Name2-(dimethylamino)ethyl benzoate;hydroiodide
SMILESCN(C)CCOC(=O)c1ccccc1.I
InChIInChI=1S/C11H15NO2.HI/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKeyXIKQIIOXVWPLLW-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

O-[2-(dimethylamino)ethyl] benzenecarbothioate
CID 28187
2-(dimethylamino)ethyl 3-ethylbenzoate
CID 70999207
2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride
CID 2912299
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
2-benzoyloxyethyl benzoate;ethene
CID 67969171
bis[3-(dimethylamino)propyl] benzene-1,3-dicarboxylate
CID 139953071
azane;2-methoxyethyl benzoate
CID 174560204
2-(dimethylamino)ethyl 2-fluorobenzoate
CID 3546835
3-oxobutyl benzoate
CID 10899468
(111C)butyl benzoate
CID 11994383
2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
CID 2329503
2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
CID 134843847

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl benzoate;hydroiodide?
The IUPAC name of 2-(dimethylamino)ethyl benzoate;hydroiodide (CID 2752377) is 2-(dimethylamino)ethyl benzoate;hydroiodide.
What is the SMILES notation for 2-(dimethylamino)ethyl benzoate;hydroiodide?
The canonical SMILES for 2-(dimethylamino)ethyl benzoate;hydroiodide is CN(C)CCOC(=O)c1ccccc1.I.
What is the InChIKey of 2-(dimethylamino)ethyl benzoate;hydroiodide?
The InChIKey is XIKQIIOXVWPLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.HI/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethyl benzoate;hydroiodide?
2-(dimethylamino)ethyl benzoate;hydroiodide has a molecular weight of 321.16 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl benzoate;hydroiodide is sourced from PubChem (CID 2752377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).