ethyl 4-[(4-aminophenoxy)methyl]benzoate

C16H17NO3 — CID 39109130

IUPACethyl 4-[(4-aminophenoxy)methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccc(N)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-2-19-16(18)13-5-3-12(4-6-13)11-20-15-9-7-14(17)8-10-15/h3-10H,2,11,17H2,1H3
InChIKeyVGWOGPMQVAQAIB-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.02
Rot. Bonds5

About ethyl 4-[(4-aminophenoxy)methyl]benzoate

ethyl 4-[(4-aminophenoxy)methyl]benzoate (PubChem CID 39109130) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-[(4-aminophenoxy)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-aminophenoxy)methyl]benzoate
PubChem CID39109130
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 4-[(4-aminophenoxy)methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccc(N)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-2-19-16(18)13-5-3-12(4-6-13)11-20-15-9-7-14(17)8-10-15/h3-10H,2,11,17H2,1H3
InChIKeyVGWOGPMQVAQAIB-UHFFFAOYSA-N
XLogP3.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-aminobenzoate
CID 2337
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
butane;ethyl 4-aminobenzoate
CID 67389405
ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856582
ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate
CID 103037722
[4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate
CID 154692007
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
butyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 13176542
diethyl 5-[(4-cyanophenyl)methoxy]benzene-1,3-dicarboxylate
CID 7643441
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
(4-ethoxyphenyl)methyl benzoate
CID 91595481

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-aminophenoxy)methyl]benzoate?
The IUPAC name of ethyl 4-[(4-aminophenoxy)methyl]benzoate (CID 39109130) is ethyl 4-[(4-aminophenoxy)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(4-aminophenoxy)methyl]benzoate?
The canonical SMILES for ethyl 4-[(4-aminophenoxy)methyl]benzoate is CCOC(=O)c1ccc(COc2ccc(N)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-aminophenoxy)methyl]benzoate?
The InChIKey is VGWOGPMQVAQAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-19-16(18)13-5-3-12(4-6-13)11-20-15-9-7-14(17)8-10-15/h3-10H,2,11,17H2,1H3.
What are the key properties of ethyl 4-[(4-aminophenoxy)methyl]benzoate?
ethyl 4-[(4-aminophenoxy)methyl]benzoate has a molecular weight of 271.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-aminophenoxy)methyl]benzoate is sourced from PubChem (CID 39109130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).