3-phenylpropyl 2-(3-aminophenoxy)acetate

C17H19NO3 — CID 61321902

IUPAC3-phenylpropyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCCCc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c18-15-9-4-10-16(12-15)21-13-17(19)20-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12H,5,8,11,13,18H2
InChIKeyYDUPIZPCXYJNHN-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.82
Rot. Bonds7

About 3-phenylpropyl 2-(3-aminophenoxy)acetate

3-phenylpropyl 2-(3-aminophenoxy)acetate (PubChem CID 61321902) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-phenylpropyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name3-phenylpropyl 2-(3-aminophenoxy)acetate
PubChem CID61321902
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-phenylpropyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCCCc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c18-15-9-4-10-16(12-15)21-13-17(19)20-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12H,5,8,11,13,18H2
InChIKeyYDUPIZPCXYJNHN-UHFFFAOYSA-N
XLogP2.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.82
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'}

Analyze 3-phenylpropyl 2-(3-aminophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
4-oxo-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]butanoic acid
CID 57013169
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-phenylpropyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate
CID 17161381
3-imidazol-1-ylpropyl 2-(3-aminophenoxy)acetate
CID 61493245
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 2-(3-aminophenoxy)acetate?
The IUPAC name of 3-phenylpropyl 2-(3-aminophenoxy)acetate (CID 61321902) is 3-phenylpropyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for 3-phenylpropyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for 3-phenylpropyl 2-(3-aminophenoxy)acetate is Nc1cccc(OCC(=O)OCCCc2ccccc2)c1.
What is the InChIKey of 3-phenylpropyl 2-(3-aminophenoxy)acetate?
The InChIKey is YDUPIZPCXYJNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c18-15-9-4-10-16(12-15)21-13-17(19)20-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12H,5,8,11,13,18H2.
What are the key properties of 3-phenylpropyl 2-(3-aminophenoxy)acetate?
3-phenylpropyl 2-(3-aminophenoxy)acetate has a molecular weight of 285.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 61321902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).