2-phenylethyl 2-aminobenzoate

C15H15NO2 — CID 8615

IUPAC2-phenylethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCc1ccccc1
InChIInChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2
InChIKeyPXWNBAGCFUDYBE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.67
Rot. Bonds4

About 2-phenylethyl 2-aminobenzoate

2-phenylethyl 2-aminobenzoate (PubChem CID 8615) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-phenylethyl 2-aminobenzoate.

Molecular Properties

Compound Name2-phenylethyl 2-aminobenzoate
PubChem CID8615
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-phenylethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCc1ccccc1
InChIInChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2
InChIKeyPXWNBAGCFUDYBE-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Anthranilic Acid
CID 227
Benzocaine
CID 2337
Methyl Anthranilate
CID 8635
Butyl 4-aminobenzoate
CID 2482
Methyl N-methylanthranilate
CID 6826
Linalyl anthranilate
CID 23535
Cinnamyl Anthranilate
CID 5284369
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
Ethyl 3-aminobenzoate
CID 11400
Risocaine
CID 7174
Isobutamben
CID 7176

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-aminobenzoate?
The IUPAC name of 2-phenylethyl 2-aminobenzoate (CID 8615) is 2-phenylethyl 2-aminobenzoate.
What is the SMILES notation for 2-phenylethyl 2-aminobenzoate?
The canonical SMILES for 2-phenylethyl 2-aminobenzoate is Nc1ccccc1C(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-aminobenzoate?
The InChIKey is PXWNBAGCFUDYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2.
What are the key properties of 2-phenylethyl 2-aminobenzoate?
2-phenylethyl 2-aminobenzoate has a molecular weight of 241.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-aminobenzoate is sourced from PubChem (CID 8615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).