2-phenoxyethyl 2-aminobenzoate

C15H15NO3 — CID 657660

IUPAC2-phenoxyethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCOc1ccccc1
InChIInChI=1S/C15H15NO3/c16-14-9-5-4-8-13(14)15(17)19-11-10-18-12-6-2-1-3-7-12/h1-9H,10-11,16H2
InChIKeyRLXXBBHXOBWALJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.50
Rot. Bonds5

About 2-phenoxyethyl 2-aminobenzoate

2-phenoxyethyl 2-aminobenzoate (PubChem CID 657660) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-phenoxyethyl 2-aminobenzoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-aminobenzoate
PubChem CID657660
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-phenoxyethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCOc1ccccc1
InChIInChI=1S/C15H15NO3/c16-14-9-5-4-8-13(14)15(17)19-11-10-18-12-6-2-1-3-7-12/h1-9H,10-11,16H2
InChIKeyRLXXBBHXOBWALJ-UHFFFAOYSA-N
XLogP2.50
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.50
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-phenoxyethyl 2-aminobenzoate?
The IUPAC name of 2-phenoxyethyl 2-aminobenzoate (CID 657660) is 2-phenoxyethyl 2-aminobenzoate.
What is the SMILES notation for 2-phenoxyethyl 2-aminobenzoate?
The canonical SMILES for 2-phenoxyethyl 2-aminobenzoate is Nc1ccccc1C(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-aminobenzoate?
The InChIKey is RLXXBBHXOBWALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c16-14-9-5-4-8-13(14)15(17)19-11-10-18-12-6-2-1-3-7-12/h1-9H,10-11,16H2.
What are the key properties of 2-phenoxyethyl 2-aminobenzoate?
2-phenoxyethyl 2-aminobenzoate has a molecular weight of 257.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-aminobenzoate is sourced from PubChem (CID 657660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).