2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine

C14H21NO3 — CID 81480528

IUPAC2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(CCOC)cc2C1NOC
InChIInChI=1S/C14H21NO3/c1-4-12-14(15-17-3)11-9-10(7-8-16-2)5-6-13(11)18-12/h5-6,9,12,14-15H,4,7-8H2,1-3H3
InChIKeyZGKWHLLCQJRMSX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds6

About 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine

2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 81480528) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID81480528
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(CCOC)cc2C1NOC
InChIInChI=1S/C14H21NO3/c1-4-12-14(15-17-3)11-9-10(7-8-16-2)5-6-13(11)18-12/h5-6,9,12,14-15H,4,7-8H2,1-3H3
InChIKeyZGKWHLLCQJRMSX-UHFFFAOYSA-N
XLogP2.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine (CID 81480528) is 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2ccc(CCOC)cc2C1NOC.
What is the InChIKey of 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is ZGKWHLLCQJRMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-12-14(15-17-3)11-9-10(7-8-16-2)5-6-13(11)18-12/h5-6,9,12,14-15H,4,7-8H2,1-3H3.
What are the key properties of 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine?
2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 251.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 81480528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).