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

C16H17NO3 — CID 61321197

IUPAC(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
SMILESCc1ccc(COC(=O)COc2ccc(N)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-12-2-4-13(5-3-12)10-20-16(18)11-19-15-8-6-14(17)7-9-15/h2-9H,10-11,17H2,1H3
InChIKeyFOINFLWFWZRZSM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.70
Rot. Bonds5

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

(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate (PubChem CID 61321197) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-(4-aminophenoxy)acetate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
PubChem CID61321197
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
SMILESCc1ccc(COC(=O)COc2ccc(N)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-12-2-4-13(5-3-12)10-20-16(18)11-19-15-8-6-14(17)7-9-15/h2-9H,10-11,17H2,1H3
InChIKeyFOINFLWFWZRZSM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321388
(2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61481787
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
(4-methylphenyl)methyl 7-(4-methylphenoxy)-6-oxoheptanoate
CID 134530170
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
bis[[2-(4-aminophenoxy)acetyl]oxymethyl] hexanedioate
CID 59445400
benzyl 2-(4-iodophenoxy)acetate
CID 70249415

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-(4-aminophenoxy)acetate?
The IUPAC name of (4-methylphenyl)methyl 2-(4-aminophenoxy)acetate (CID 61321197) is (4-methylphenyl)methyl 2-(4-aminophenoxy)acetate.
What is the SMILES notation for (4-methylphenyl)methyl 2-(4-aminophenoxy)acetate?
The canonical SMILES for (4-methylphenyl)methyl 2-(4-aminophenoxy)acetate is Cc1ccc(COC(=O)COc2ccc(N)cc2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-(4-aminophenoxy)acetate?
The InChIKey is FOINFLWFWZRZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-2-4-13(5-3-12)10-20-16(18)11-19-15-8-6-14(17)7-9-15/h2-9H,10-11,17H2,1H3.
What are the key properties of (4-methylphenyl)methyl 2-(4-aminophenoxy)acetate?
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate has a molecular weight of 271.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-(4-aminophenoxy)acetate is sourced from PubChem (CID 61321197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).