1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine

C18H26FNO — CID 105046157

IUPAC1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H26FNO/c1-2-3-4-5-6-7-8-9-16(20)18-13-14-12-15(19)10-11-17(14)21-18/h10-13,16H,2-9,20H2,1H3
InChIKeyUGNFJRRUIQQETC-UHFFFAOYSA-N
MW291.41 g/mol
LogP5.71
Rot. Bonds9

About 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine

1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine (PubChem CID 105046157) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
PubChem CID105046157
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H26FNO/c1-2-3-4-5-6-7-8-9-16(20)18-13-14-12-15(19)10-11-17(14)21-18/h10-13,16H,2-9,20H2,1H3
InChIKeyUGNFJRRUIQQETC-UHFFFAOYSA-N
XLogP5.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.41
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propylpentyl]hydrazine
CID 105338630
2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728983
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032995
4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol
CID 105129637
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735578
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
CID 114724338

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine (CID 105046157) is 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine is CCCCCCCCCC(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine?
The InChIKey is UGNFJRRUIQQETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-2-3-4-5-6-7-8-9-16(20)18-13-14-12-15(19)10-11-17(14)21-18/h10-13,16H,2-9,20H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine has a molecular weight of 291.41 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine is sourced from PubChem (CID 105046157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).