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

C13H16FNS — CID 105017408

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H16FNS/c1-3-8(2)13(15)12-6-9-4-5-10(14)7-11(9)16-12/h4-8,13H,3,15H2,1-2H3
InChIKeyPFKUMJCDYSPDIO-UHFFFAOYSA-N
MW237.34 g/mol
LogP4.09
Rot. Bonds3

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

1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine (PubChem CID 105017408) has the molecular formula C13H16FNS and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
PubChem CID105017408
Molecular FormulaC13H16FNS
Molecular Weight237.34 g/mol
Exact Mass237.10
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H16FNS/c1-3-8(2)13(15)12-6-9-4-5-10(14)7-11(9)16-12/h4-8,13H,3,15H2,1-2H3
InChIKeyPFKUMJCDYSPDIO-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
CID 115072235
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 105005309
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105024539

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine (CID 105017408) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine?
The InChIKey is PFKUMJCDYSPDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNS/c1-3-8(2)13(15)12-6-9-4-5-10(14)7-11(9)16-12/h4-8,13H,3,15H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine?
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 4.09, 3 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-methylbutan-1-amine is sourced from PubChem (CID 105017408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).