methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate

C13H13NO4 — CID 54909153

IUPACmethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COc1cccc(N)c1
InChIInChI=1S/C13H13NO4/c1-16-13(15)11-5-6-17-12(11)8-18-10-4-2-3-9(14)7-10/h2-7H,8,14H2,1H3
InChIKeyATALRKODLAROHN-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.23
Rot. Bonds4

About methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate

methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate (PubChem CID 54909153) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
PubChem CID54909153
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COc1cccc(N)c1
InChIInChI=1S/C13H13NO4/c1-16-13(15)11-5-6-17-12(11)8-18-10-4-2-3-9(14)7-10/h2-7H,8,14H2,1H3
InChIKeyATALRKODLAROHN-UHFFFAOYSA-N
XLogP2.23
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.23
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

ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909106
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate
CID 55517459
methyl 2-[[2-(methylaminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484655
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
CID 55512098
methyl 2-[(4-amino-2-methylphenyl)sulfanylmethyl]furan-3-carboxylate
CID 43302927
methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate
CID 71898738
methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 31125107
methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate
CID 55516580

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate (CID 54909153) is methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate is COC(=O)c1ccoc1COc1cccc(N)c1.
What is the InChIKey of methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate?
The InChIKey is ATALRKODLAROHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-16-13(15)11-5-6-17-12(11)8-18-10-4-2-3-9(14)7-10/h2-7H,8,14H2,1H3.
What are the key properties of methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate?
methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate is sourced from PubChem (CID 54909153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).