(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate

C15H14FNO3 — CID 61321388

IUPAC(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
SMILESNc1ccc(OCC(=O)OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3/c16-12-3-1-11(2-4-12)9-20-15(18)10-19-14-7-5-13(17)6-8-14/h1-8H,9-10,17H2
InChIKeyCWODCWLTDOXPFJ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.53
Rot. Bonds5

About (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate

(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate (PubChem CID 61321388) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
PubChem CID61321388
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
SMILESNc1ccc(OCC(=O)OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3/c16-12-3-1-11(2-4-12)9-20-15(18)10-19-14-7-5-13(17)6-8-14/h1-8H,9-10,17H2
InChIKeyCWODCWLTDOXPFJ-UHFFFAOYSA-N
XLogP2.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.53
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

(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate
CID 41383660
methyl 2-(4-fluorophenoxy)acetate
CID 580550
1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
CID 134026431
bis[[2-(4-aminophenoxy)acetyl]oxymethyl] hexanedioate
CID 59445400
benzyl 2-(4-iodophenoxy)acetate
CID 70249415
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
2,2,2-trifluoroethoxymethyl 2-(4-aminophenoxy)acetate
CID 106705737

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate?
The IUPAC name of (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate (CID 61321388) is (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate is Nc1ccc(OCC(=O)OCc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate?
The InChIKey is CWODCWLTDOXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-12-3-1-11(2-4-12)9-20-15(18)10-19-14-7-5-13(17)6-8-14/h1-8H,9-10,17H2.
What are the key properties of (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate?
(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate has a molecular weight of 275.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate is sourced from PubChem (CID 61321388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).