N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine

C14H21NO4S — CID 63095519

IUPACN-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCCS(=O)(=O)CC)ccc21
InChIInChI=1S/C14H21NO4S/c1-3-15-13-10-19-14-9-11(5-6-12(13)14)18-7-8-20(16,17)4-2/h5-6,9,13,15H,3-4,7-8,10H2,1-2H3
InChIKeyZBNWFTCKESVZEY-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.54
Rot. Bonds7

About N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63095519) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63095519
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCCS(=O)(=O)CC)ccc21
InChIInChI=1S/C14H21NO4S/c1-3-15-13-10-19-14-9-11(5-6-12(13)14)18-7-8-20(16,17)4-2/h5-6,9,13,15H,3-4,7-8,10H2,1-2H3
InChIKeyZBNWFTCKESVZEY-UHFFFAOYSA-N
XLogP1.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(3-ethylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 65094225
6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63095875
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile
CID 63095339
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942
6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096753
2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide
CID 63094817
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 79168481
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096041
1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol
CID 65208377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 63095519) is N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(OCCS(=O)(=O)CC)ccc21.
What is the InChIKey of N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is ZBNWFTCKESVZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-15-13-10-19-14-9-11(5-6-12(13)14)18-7-8-20(16,17)4-2/h5-6,9,13,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 299.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63095519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).