4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

C14H16FNS — CID 62810732

IUPAC4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(F)c(C)c2)s1
InChIInChI=1S/C14H16FNS/c1-9-8-12(5-6-13(9)15)16-11(3)14-7-4-10(2)17-14/h4-8,11,16H,1-3H3
InChIKeyUAOAEAZPMWSEOG-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.68
Rot. Bonds3

About 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 62810732) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID62810732
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(F)c(C)c2)s1
InChIInChI=1S/C14H16FNS/c1-9-8-12(5-6-13(9)15)16-11(3)14-7-4-10(2)17-14/h4-8,11,16H,1-3H3
InChIKeyUAOAEAZPMWSEOG-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (CID 62810732) is 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is Cc1ccc(C(C)Nc2ccc(F)c(C)c2)s1.
What is the InChIKey of 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is UAOAEAZPMWSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9-8-12(5-6-13(9)15)16-11(3)14-7-4-10(2)17-14/h4-8,11,16H,1-3H3.
What are the key properties of 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 249.35 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 62810732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).