2-phenyliminoethyl 2-ethylbenzoate

C17H17NO2 — CID 175414099

IUPAC2-phenyliminoethyl 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)OC/C=N/c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-14-8-6-7-11-16(14)17(19)20-13-12-18-15-9-4-3-5-10-15/h3-12H,2,13H2,1H3/b18-12+
InChIKeyAGMUOMZKZTTYIZ-LDADJPATSA-N
MW267.33 g/mol
LogP3.81
Rot. Bonds5

About 2-phenyliminoethyl 2-ethylbenzoate

2-phenyliminoethyl 2-ethylbenzoate (PubChem CID 175414099) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-phenyliminoethyl 2-ethylbenzoate.

Molecular Properties

Compound Name2-phenyliminoethyl 2-ethylbenzoate
PubChem CID175414099
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-phenyliminoethyl 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)OC/C=N/c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-14-8-6-7-11-16(14)17(19)20-13-12-18-15-9-4-3-5-10-15/h3-12H,2,13H2,1H3/b18-12+
InChIKeyAGMUOMZKZTTYIZ-LDADJPATSA-N
XLogP3.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;ethyl 2-ethylbenzoate
CID 162337312
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
2-methylbutyl 2-ethylbenzoate
CID 175585284
CID 174739089
CID 174739089
2-ethylbenzoic acid;ethyl 2-methylbenzoate
CID 175978347
2-ethylbenzoic acid;tungsten
CID 23518478
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate
CID 23024581
but-2-enyl 2-(methoxymethyl)benzoate
CID 76861630
ethyl 2-(pyridin-1-ium-1-ylmethyl)benzoate;hydrobromide
CID 126959360
CID 161393791
CID 161393791

Frequently Asked Questions

What is the IUPAC name of 2-phenyliminoethyl 2-ethylbenzoate?
The IUPAC name of 2-phenyliminoethyl 2-ethylbenzoate (CID 175414099) is 2-phenyliminoethyl 2-ethylbenzoate.
What is the SMILES notation for 2-phenyliminoethyl 2-ethylbenzoate?
The canonical SMILES for 2-phenyliminoethyl 2-ethylbenzoate is CCc1ccccc1C(=O)OC/C=N/c1ccccc1.
What is the InChIKey of 2-phenyliminoethyl 2-ethylbenzoate?
The InChIKey is AGMUOMZKZTTYIZ-LDADJPATSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-14-8-6-7-11-16(14)17(19)20-13-12-18-15-9-4-3-5-10-15/h3-12H,2,13H2,1H3/b18-12+.
What are the key properties of 2-phenyliminoethyl 2-ethylbenzoate?
2-phenyliminoethyl 2-ethylbenzoate has a molecular weight of 267.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyliminoethyl 2-ethylbenzoate is sourced from PubChem (CID 175414099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).