1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine

C13H16FNO3 — CID 114032995

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCC(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H16FNO3/c1-16-4-5-17-8-11(15)13-7-9-6-10(14)2-3-12(9)18-13/h2-3,6-7,11H,4-5,8,15H2,1H3
InChIKeyPMCMTWPGVOUFPV-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.23
Rot. Bonds6

About 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine

1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine (PubChem CID 114032995) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
PubChem CID114032995
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCC(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H16FNO3/c1-16-4-5-17-8-11(15)13-7-9-6-10(14)2-3-12(9)18-13/h2-3,6-7,11H,4-5,8,15H2,1H3
InChIKeyPMCMTWPGVOUFPV-UHFFFAOYSA-N
XLogP2.23
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine
CID 114732971
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728983
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol
CID 105129637

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine (CID 114032995) is 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine is COCCOCC(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine?
The InChIKey is PMCMTWPGVOUFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-16-4-5-17-8-11(15)13-7-9-6-10(14)2-3-12(9)18-13/h2-3,6-7,11H,4-5,8,15H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine?
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine has a molecular weight of 253.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 114032995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).