2-ethoxyethyl 2-amino-3,5-dimethylbenzoate

C13H19NO3 — CID 55178460

IUPAC2-ethoxyethyl 2-amino-3,5-dimethylbenzoate
SMILESCCOCCOC(=O)c1cc(C)cc(C)c1N
InChIInChI=1S/C13H19NO3/c1-4-16-5-6-17-13(15)11-8-9(2)7-10(3)12(11)14/h7-8H,4-6,14H2,1-3H3
InChIKeyUDYUXZVVJFWKDN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.08
Rot. Bonds5

About 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate

2-ethoxyethyl 2-amino-3,5-dimethylbenzoate (PubChem CID 55178460) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-amino-3,5-dimethylbenzoate
PubChem CID55178460
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-ethoxyethyl 2-amino-3,5-dimethylbenzoate
SMILESCCOCCOC(=O)c1cc(C)cc(C)c1N
InChIInChI=1S/C13H19NO3/c1-4-16-5-6-17-13(15)11-8-9(2)7-10(3)12(11)14/h7-8H,4-6,14H2,1-3H3
InChIKeyUDYUXZVVJFWKDN-UHFFFAOYSA-N
XLogP2.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate?
The IUPAC name of 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate (CID 55178460) is 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate.
What is the SMILES notation for 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate?
The canonical SMILES for 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate is CCOCCOC(=O)c1cc(C)cc(C)c1N.
What is the InChIKey of 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate?
The InChIKey is UDYUXZVVJFWKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-16-5-6-17-13(15)11-8-9(2)7-10(3)12(11)14/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate?
2-ethoxyethyl 2-amino-3,5-dimethylbenzoate has a molecular weight of 237.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-amino-3,5-dimethylbenzoate is sourced from PubChem (CID 55178460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).