(2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate

C17H19NO3 — CID 61481787

IUPAC(2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate
SMILESCc1ccc(C)c(COC(=O)COc2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO3/c1-12-3-4-13(2)14(9-12)10-21-17(19)11-20-16-7-5-15(18)6-8-16/h3-9H,10-11,18H2,1-2H3
InChIKeyIFRKWRUBLITOKQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.01
Rot. Bonds5

About (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate

(2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate (PubChem CID 61481787) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate
PubChem CID61481787
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate
SMILESCc1ccc(C)c(COC(=O)COc2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO3/c1-12-3-4-13(2)14(9-12)10-21-17(19)11-20-16-7-5-15(18)6-8-16/h3-9H,10-11,18H2,1-2H3
InChIKeyIFRKWRUBLITOKQ-UHFFFAOYSA-N
XLogP3.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.01
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
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
4-[(2,4-dimethylphenyl)methoxy]aniline
CID 12822803
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321388
(3,4-dimethylphenyl) 2-[4-(4-methylphenyl)phenoxy]acetate
CID 19180769
(2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate
CID 16594706
bis[[2-(4-aminophenoxy)acetyl]oxymethyl] hexanedioate
CID 59445400
[4-[(2,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 61481951
4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
CID 83953119
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140911

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate?
The IUPAC name of (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate (CID 61481787) is (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate.
What is the SMILES notation for (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate?
The canonical SMILES for (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate is Cc1ccc(C)c(COC(=O)COc2ccc(N)cc2)c1.
What is the InChIKey of (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate?
The InChIKey is IFRKWRUBLITOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-3-4-13(2)14(9-12)10-21-17(19)11-20-16-7-5-15(18)6-8-16/h3-9H,10-11,18H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate?
(2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate has a molecular weight of 285.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate is sourced from PubChem (CID 61481787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).