1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine

C16H20FNS — CID 43287855

IUPAC1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(-c2cc(F)ccc2C)s1
InChIInChI=1S/C16H20FNS/c1-4-5-14(18-3)16-9-8-15(19-16)13-10-12(17)7-6-11(13)2/h6-10,14,18H,4-5H2,1-3H3
InChIKeyDIEBUCYYEWDEMX-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.92
Rot. Bonds5

About 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine

1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine (PubChem CID 43287855) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
PubChem CID43287855
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(-c2cc(F)ccc2C)s1
InChIInChI=1S/C16H20FNS/c1-4-5-14(18-3)16-9-8-15(19-16)13-10-12(17)7-6-11(13)2/h6-10,14,18H,4-5H2,1-3H3
InChIKeyDIEBUCYYEWDEMX-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine?
The IUPAC name of 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine (CID 43287855) is 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine?
The canonical SMILES for 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine is CCCC(NC)c1ccc(-c2cc(F)ccc2C)s1.
What is the InChIKey of 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine?
The InChIKey is DIEBUCYYEWDEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-4-5-14(18-3)16-9-8-15(19-16)13-10-12(17)7-6-11(13)2/h6-10,14,18H,4-5H2,1-3H3.
What are the key properties of 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine?
1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 43287855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).