methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate

C14H18N2O3 — CID 67199835

IUPACmethyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate
SMILESCCN(CC)c1ccc2c(N)c(C(=O)OC)oc2c1
InChIInChI=1S/C14H18N2O3/c1-4-16(5-2)9-6-7-10-11(8-9)19-13(12(10)15)14(17)18-3/h6-8H,4-5,15H2,1-3H3
InChIKeyDRTKXYGQYKLRGJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.65
Rot. Bonds4

About methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate

methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate (PubChem CID 67199835) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate
PubChem CID67199835
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate
SMILESCCN(CC)c1ccc2c(N)c(C(=O)OC)oc2c1
InChIInChI=1S/C14H18N2O3/c1-4-16(5-2)9-6-7-10-11(8-9)19-13(12(10)15)14(17)18-3/h6-8H,4-5,15H2,1-3H3
InChIKeyDRTKXYGQYKLRGJ-UHFFFAOYSA-N
XLogP2.65
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,16-bis(diethylamino)-9,19-dioxapentacyclo[10.8.0.02,11.03,8.013,18]icosa-1(12),2(11),3(8),4,6,13(18),14,16-octaene-10,20-dione
CID 142217669
methyl 4-(diethylamino)-2-hydroxybenzoate
CID 18402115
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
[2-[4-(diethylamino)anilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506325
7-(diethylamino)-4-ethylchromene-2-thione
CID 162436645
7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one
CID 175497179
ethyl 4-[7-(diethylamino)-3-formyl-2-oxochromen-4-yl]benzoate
CID 86272186
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2078838
3-(4-aminophenyl)-7-(diethylamino)-4-methylchromen-2-one
CID 659315
methyl 6-(diethylamino)quinoline-4-carboxylate
CID 102941784
methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 134310378
dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate
CID 13381524

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate (CID 67199835) is methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate is CCN(CC)c1ccc2c(N)c(C(=O)OC)oc2c1.
What is the InChIKey of methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate?
The InChIKey is DRTKXYGQYKLRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-16(5-2)9-6-7-10-11(8-9)19-13(12(10)15)14(17)18-3/h6-8H,4-5,15H2,1-3H3.
What are the key properties of methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate?
methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 67199835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).