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

C14H15NO4 — CID 54909106

IUPACethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COc1cccc(N)c1
InChIInChI=1S/C14H15NO4/c1-2-17-14(16)12-6-7-18-13(12)9-19-11-5-3-4-10(15)8-11/h3-8H,2,9,15H2,1H3
InChIKeyQDBBAOUXHXWLCJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.62
Rot. Bonds5

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

ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate (PubChem CID 54909106) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
PubChem CID54909106
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COc1cccc(N)c1
InChIInChI=1S/C14H15NO4/c1-2-17-14(16)12-6-7-18-13(12)9-19-11-5-3-4-10(15)8-11/h3-8H,2,9,15H2,1H3
InChIKeyQDBBAOUXHXWLCJ-UHFFFAOYSA-N
XLogP2.62
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.62
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

methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909153
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate
CID 39903274
ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate
CID 11298725
ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 39969066
ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate
CID 16525393
ethyl 2-[(4-amino-2-bromophenyl)sulfanylmethyl]furan-3-carboxylate
CID 82841021
ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate
CID 24662485
2-(3-aminophenoxy)-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 61426808
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
(3-ethoxycarbonylfuran-2-yl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486941

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate (CID 54909106) is ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1COc1cccc(N)c1.
What is the InChIKey of ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate?
The InChIKey is QDBBAOUXHXWLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-17-14(16)12-6-7-18-13(12)9-19-11-5-3-4-10(15)8-11/h3-8H,2,9,15H2,1H3.
What are the key properties of ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate?
ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate is sourced from PubChem (CID 54909106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).