ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate

C17H17NO3 — CID 83142809

IUPACethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate
SMILESCCOC(=O)c1c(N)cccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17NO3/c1-2-20-17(19)16-13(4-3-5-14(16)18)11-6-7-15-12(10-11)8-9-21-15/h3-7,10H,2,8-9,18H2,1H3
InChIKeyAOOOVQXOXHIPKX-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.05
Rot. Bonds3

About ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate

ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate (PubChem CID 83142809) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate
PubChem CID83142809
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate
SMILESCCOC(=O)c1c(N)cccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17NO3/c1-2-20-17(19)16-13(4-3-5-14(16)18)11-6-7-15-12(10-11)8-9-21-15/h3-7,10H,2,8-9,18H2,1H3
InChIKeyAOOOVQXOXHIPKX-UHFFFAOYSA-N
XLogP3.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethyl 2-aminoazulene-1-carboxylate
CID 11458568
ethyl 5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379362
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960
diethyl 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 86291835
ethyl 2-amino-6-hydroxybenzoate
CID 70700315
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate
CID 174245310
ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
CID 18769105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate?
The IUPAC name of ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate (CID 83142809) is ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate.
What is the SMILES notation for ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate?
The canonical SMILES for ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate is CCOC(=O)c1c(N)cccc1-c1ccc2c(c1)CCO2.
What is the InChIKey of ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate?
The InChIKey is AOOOVQXOXHIPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-20-17(19)16-13(4-3-5-14(16)18)11-6-7-15-12(10-11)8-9-21-15/h3-7,10H,2,8-9,18H2,1H3.
What are the key properties of ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate?
ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate is sourced from PubChem (CID 83142809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).