2-(2-phenylethylamino)ethyl benzoate

C17H19NO2 — CID 82532113

IUPAC2-(2-phenylethylamino)ethyl benzoate
SMILESO=C(OCCNCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(16-9-5-2-6-10-16)20-14-13-18-12-11-15-7-3-1-4-8-15/h1-10,18H,11-14H2
InChIKeyUIFHENIPSOUDKX-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.68
Rot. Bonds7

About 2-(2-phenylethylamino)ethyl benzoate

2-(2-phenylethylamino)ethyl benzoate (PubChem CID 82532113) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2-phenylethylamino)ethyl benzoate.

Molecular Properties

Compound Name2-(2-phenylethylamino)ethyl benzoate
PubChem CID82532113
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(2-phenylethylamino)ethyl benzoate
SMILESO=C(OCCNCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(16-9-5-2-6-10-16)20-14-13-18-12-11-15-7-3-1-4-8-15/h1-10,18H,11-14H2
InChIKeyUIFHENIPSOUDKX-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylethylamino)butyl benzoate
CID 70832782
2-[2-(propylamino)ethoxy]ethyl benzoate
CID 82532615
2-benzoyloxyethyl benzoate;ethene
CID 67969171
3-(benzylamino)propyl benzoate
CID 67562495
2-(methylamino)ethyl benzoate
CID 158644589
2-[2-(butylamino)ethoxy]ethyl benzoate
CID 82532254
2-phenylethyl 4-hydroxybenzoate
CID 11977778
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-(2-benzoyloxyethoxy)-2,4-dioxobutanoate
CID 164747776
[(2-benzoyloxyethylamino)azaniumyl]azanide
CID 176837320
azane;2-methoxyethyl benzoate
CID 174560204

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylamino)ethyl benzoate?
The IUPAC name of 2-(2-phenylethylamino)ethyl benzoate (CID 82532113) is 2-(2-phenylethylamino)ethyl benzoate.
What is the SMILES notation for 2-(2-phenylethylamino)ethyl benzoate?
The canonical SMILES for 2-(2-phenylethylamino)ethyl benzoate is O=C(OCCNCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethylamino)ethyl benzoate?
The InChIKey is UIFHENIPSOUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(16-9-5-2-6-10-16)20-14-13-18-12-11-15-7-3-1-4-8-15/h1-10,18H,11-14H2.
What are the key properties of 2-(2-phenylethylamino)ethyl benzoate?
2-(2-phenylethylamino)ethyl benzoate has a molecular weight of 269.34 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylamino)ethyl benzoate is sourced from PubChem (CID 82532113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).