2-(aminomethoxy)ethyl benzoate

C10H13NO3 — CID 89228347

IUPAC2-(aminomethoxy)ethyl benzoate
SMILESNCOCCOC(=O)c1ccccc1
InChIInChI=1S/C10H13NO3/c11-8-13-6-7-14-10(12)9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyNYKVNMMUAFKDBY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.78
Rot. Bonds5

About 2-(aminomethoxy)ethyl benzoate

2-(aminomethoxy)ethyl benzoate (PubChem CID 89228347) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(aminomethoxy)ethyl benzoate.

Molecular Properties

Compound Name2-(aminomethoxy)ethyl benzoate
PubChem CID89228347
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(aminomethoxy)ethyl benzoate
SMILESNCOCCOC(=O)c1ccccc1
InChIInChI=1S/C10H13NO3/c11-8-13-6-7-14-10(12)9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyNYKVNMMUAFKDBY-UHFFFAOYSA-N
XLogP0.78
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
azane;2-methoxyethyl benzoate
CID 174560204
2-(3-methylbutoxy)ethyl benzoate
CID 140608731
2-(aminomethoxy)ethyl 4-propylbenzoate
CID 144917762
2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
CID 161417180
2-nonoxyethyl benzoate
CID 140608587
3-benzoyloxypropanoic acid
CID 21263483
2-benzoyloxyethyl 3,5-diaminobenzoate
CID 21249778
3-aminopropyl benzoate;ethane
CID 144783067

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethoxy)ethyl benzoate?
The IUPAC name of 2-(aminomethoxy)ethyl benzoate (CID 89228347) is 2-(aminomethoxy)ethyl benzoate.
What is the SMILES notation for 2-(aminomethoxy)ethyl benzoate?
The canonical SMILES for 2-(aminomethoxy)ethyl benzoate is NCOCCOC(=O)c1ccccc1.
What is the InChIKey of 2-(aminomethoxy)ethyl benzoate?
The InChIKey is NYKVNMMUAFKDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-8-13-6-7-14-10(12)9-4-2-1-3-5-9/h1-5H,6-8,11H2.
What are the key properties of 2-(aminomethoxy)ethyl benzoate?
2-(aminomethoxy)ethyl benzoate has a molecular weight of 195.22 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethoxy)ethyl benzoate is sourced from PubChem (CID 89228347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).