(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate

C16H17NO4 — CID 61310068

IUPAC(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
SMILESCOc1ccc(COC(=O)COc2cccc(N)c2)cc1
InChIInChI=1S/C16H17NO4/c1-19-14-7-5-12(6-8-14)10-21-16(18)11-20-15-4-2-3-13(17)9-15/h2-9H,10-11,17H2,1H3
InChIKeyHRMRWCXEDLXKSV-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.40
Rot. Bonds6

About (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate

(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate (PubChem CID 61310068) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
PubChem CID61310068
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
SMILESCOc1ccc(COC(=O)COc2cccc(N)c2)cc1
InChIInChI=1S/C16H17NO4/c1-19-14-7-5-12(6-8-14)10-21-16(18)11-20-15-4-2-3-13(17)9-15/h2-9H,10-11,17H2,1H3
InChIKeyHRMRWCXEDLXKSV-UHFFFAOYSA-N
XLogP2.40
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
CID 102878368
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate
CID 61321528
[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
CID 61320779
3-phenylpropyl 2-(3-aminophenoxy)acetate
CID 61321902
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321388

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate (CID 61310068) is (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate is COc1ccc(COC(=O)COc2cccc(N)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate?
The InChIKey is HRMRWCXEDLXKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-14-7-5-12(6-8-14)10-21-16(18)11-20-15-4-2-3-13(17)9-15/h2-9H,10-11,17H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate?
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate has a molecular weight of 287.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 61310068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).