1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine

C14H16FNS — CID 105039458

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H16FNS/c1-9(2)3-6-12(16)14-7-10-4-5-11(15)8-13(10)17-14/h4-5,7-8,12H,1,3,6,16H2,2H3
InChIKeyNIRUQXRYMCFXSP-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.40
Rot. Bonds4

About 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine

1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine (PubChem CID 105039458) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
PubChem CID105039458
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H16FNS/c1-9(2)3-6-12(16)14-7-10-4-5-11(15)8-13(10)17-14/h4-5,7-8,12H,1,3,6,16H2,2H3
InChIKeyNIRUQXRYMCFXSP-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 105005309
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115860911
methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
CID 115072235
2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105024539
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997058
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine (CID 105039458) is 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine is C=C(C)CCC(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine?
The InChIKey is NIRUQXRYMCFXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9(2)3-6-12(16)14-7-10-4-5-11(15)8-13(10)17-14/h4-5,7-8,12H,1,3,6,16H2,2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine?
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine has a molecular weight of 249.35 g/mol, XLogP of 4.40, 4 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)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 105039458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).