1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine

C17H24FNS — CID 115835449

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C17H24FNS/c1-2-3-4-5-6-7-8-15(19)17-11-13-9-10-14(18)12-16(13)20-17/h9-12,15H,2-8,19H2,1H3
InChIKeyVJJWVZOBRZELIL-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.79
Rot. Bonds8

About 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine

1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine (PubChem CID 115835449) has the molecular formula C17H24FNS and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
PubChem CID115835449
Molecular FormulaC17H24FNS
Molecular Weight293.45 g/mol
Exact Mass293.16
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C17H24FNS/c1-2-3-4-5-6-7-8-15(19)17-11-13-9-10-14(18)12-16(13)20-17/h9-12,15H,2-8,19H2,1H3
InChIKeyVJJWVZOBRZELIL-UHFFFAOYSA-N
XLogP5.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.79
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-benzothiophen-2-yl)hexan-1-amine
CID 105129507
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105024539
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115860911
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine (CID 115835449) is 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine is CCCCCCCCC(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine?
The InChIKey is VJJWVZOBRZELIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNS/c1-2-3-4-5-6-7-8-15(19)17-11-13-9-10-14(18)12-16(13)20-17/h9-12,15H,2-8,19H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine?
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine is sourced from PubChem (CID 115835449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).