N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine

C13H17NO2 — CID 81047823

IUPACN-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine
SMILESCCNCCc1coc2ccc(OC)cc12
InChIInChI=1S/C13H17NO2/c1-3-14-7-6-10-9-16-13-5-4-11(15-2)8-12(10)13/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyWXAZMCIXOIUGTM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.59
Rot. Bonds5

About N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine

N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine (PubChem CID 81047823) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine
PubChem CID81047823
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine
SMILESCCNCCc1coc2ccc(OC)cc12
InChIInChI=1S/C13H17NO2/c1-3-14-7-6-10-9-16-13-5-4-11(15-2)8-12(10)13/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyWXAZMCIXOIUGTM-UHFFFAOYSA-N
XLogP2.59
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine (CID 81047823) is N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine is CCNCCc1coc2ccc(OC)cc12.
What is the InChIKey of N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine?
The InChIKey is WXAZMCIXOIUGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14-7-6-10-9-16-13-5-4-11(15-2)8-12(10)13/h4-5,8-9,14H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine?
N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine has a molecular weight of 219.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methoxy-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 81047823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).