1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine

C12H12FNS — CID 105005309

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C12H12FNS/c1-7(2)12(14)11-5-8-3-4-9(13)6-10(8)15-11/h3-6,12H,1,14H2,2H3
InChIKeyGHDGQTDZKITXJZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.62
Rot. Bonds2

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

1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 105005309) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
PubChem CID105005309
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C12H12FNS/c1-7(2)12(14)11-5-8-3-4-9(13)6-10(8)15-11/h3-6,12H,1,14H2,2H3
InChIKeyGHDGQTDZKITXJZ-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.62
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)-4-methylpent-4-en-1-amine
CID 105039458
methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
CID 115072235
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
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
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine (CID 105005309) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine is C=C(C)C(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is GHDGQTDZKITXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-7(2)12(14)11-5-8-3-4-9(13)6-10(8)15-11/h3-6,12H,1,14H2,2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine?
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 3.62, 2 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)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).