N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine

C13H19NO2 — CID 63097103

IUPACN-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCOc1ccc2c(c1)OCC2NCC
InChIInChI=1S/C13H19NO2/c1-3-7-15-10-5-6-11-12(14-4-2)9-16-13(11)8-10/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeyAZSQVKORZQFWFD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.52
Rot. Bonds5

About N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63097103) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63097103
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCOc1ccc2c(c1)OCC2NCC
InChIInChI=1S/C13H19NO2/c1-3-7-15-10-5-6-11-12(14-4-2)9-16-13(11)8-10/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeyAZSQVKORZQFWFD-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095519
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942
N-ethyl-6-(3-ethylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 65094225
5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile
CID 63095339
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
6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 79168481
6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63095875
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-propoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine (CID 63097103) is N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine is CCCOc1ccc2c(c1)OCC2NCC.
What is the InChIKey of N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is AZSQVKORZQFWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-7-15-10-5-6-11-12(14-4-2)9-16-13(11)8-10/h5-6,8,12,14H,3-4,7,9H2,1-2H3.
What are the key properties of N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63097103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).