3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine

C15H20FNO2 — CID 114732971

IUPAC3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine
SMILESCOCCNC(C)C(C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO2/c1-10(11(2)17-6-7-18-3)15-9-12-8-13(16)4-5-14(12)19-15/h4-5,8-11,17H,6-7H2,1-3H3
InChIKeyCAMYGELHOOQGAP-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.30
Rot. Bonds6

About 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine

3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine (PubChem CID 114732971) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine.

Molecular Properties

Compound Name3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine
PubChem CID114732971
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine
SMILESCOCCNC(C)C(C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO2/c1-10(11(2)17-6-7-18-3)15-9-12-8-13(16)4-5-14(12)19-15/h4-5,8-11,17H,6-7H2,1-3H3
InChIKeyCAMYGELHOOQGAP-UHFFFAOYSA-N
XLogP3.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.30
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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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 114735623
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032995
N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine
CID 114732970
1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82316157
1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
[1-(5-fluoro-1-benzofuran-2-yl)-4-methoxypentyl]hydrazine
CID 105338684
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731322
3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735578
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine?
The IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine (CID 114732971) is 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine.
What is the SMILES notation for 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine?
The canonical SMILES for 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine is COCCNC(C)C(C)c1cc2cc(F)ccc2o1.
What is the InChIKey of 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine?
The InChIKey is CAMYGELHOOQGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(11(2)17-6-7-18-3)15-9-12-8-13(16)4-5-14(12)19-15/h4-5,8-11,17H,6-7H2,1-3H3.
What are the key properties of 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine?
3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine has a molecular weight of 265.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine is sourced from PubChem (CID 114732971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).