2-iodoethyl 2-(methylamino)benzoate

C10H12INO2 — CID 25050917

IUPAC2-iodoethyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCCI
InChIInChI=1S/C10H12INO2/c1-12-9-5-3-2-4-8(9)10(13)14-7-6-11/h2-5,12H,6-7H2,1H3
InChIKeyVKHFCGXUYSARQD-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.32
Rot. Bonds4

About 2-iodoethyl 2-(methylamino)benzoate

2-iodoethyl 2-(methylamino)benzoate (PubChem CID 25050917) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-iodoethyl 2-(methylamino)benzoate.

Molecular Properties

Compound Name2-iodoethyl 2-(methylamino)benzoate
PubChem CID25050917
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name2-iodoethyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCCI
InChIInChI=1S/C10H12INO2/c1-12-9-5-3-2-4-8(9)10(13)14-7-6-11/h2-5,12H,6-7H2,1H3
InChIKeyVKHFCGXUYSARQD-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyethyl 2-(methylamino)benzoate
CID 60643656
3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
CID 103403616
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
phosphanyl 2-(methylamino)benzoate
CID 174258583
6-azidohexyl 2-(methylamino)benzoate
CID 102394313
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
CID 18136279
(1,3-dioxoisoindol-2-yl)methyl 2-(methylamino)benzoate
CID 16596143
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(methylamino)benzoate
CID 2542769

Frequently Asked Questions

What is the IUPAC name of 2-iodoethyl 2-(methylamino)benzoate?
The IUPAC name of 2-iodoethyl 2-(methylamino)benzoate (CID 25050917) is 2-iodoethyl 2-(methylamino)benzoate.
What is the SMILES notation for 2-iodoethyl 2-(methylamino)benzoate?
The canonical SMILES for 2-iodoethyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCCI.
What is the InChIKey of 2-iodoethyl 2-(methylamino)benzoate?
The InChIKey is VKHFCGXUYSARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-12-9-5-3-2-4-8(9)10(13)14-7-6-11/h2-5,12H,6-7H2,1H3.
What are the key properties of 2-iodoethyl 2-(methylamino)benzoate?
2-iodoethyl 2-(methylamino)benzoate has a molecular weight of 305.12 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoethyl 2-(methylamino)benzoate is sourced from PubChem (CID 25050917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).