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

C13H14FNS — CID 43194697

IUPAC4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(F)cc2)s1
InChIInChI=1S/C13H14FNS/c1-9-3-8-13(16-9)10(2)15-12-6-4-11(14)5-7-12/h3-8,10,15H,1-2H3
InChIKeyJFXSOVSQHSBBNJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.37
Rot. Bonds3

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

4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 43194697) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID43194697
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccc(F)cc2)s1
InChIInChI=1S/C13H14FNS/c1-9-3-8-13(16-9)10(2)15-12-6-4-11(14)5-7-12/h3-8,10,15H,1-2H3
InChIKeyJFXSOVSQHSBBNJ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 62810732
N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
CID 43716871
4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43683889
5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 61474270
2-bromo-4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43119334
N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60932015
1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
CID 43744393
4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
CID 62911996
2-fluoro-5-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43705343
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43106448
2,3,5-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 55119065
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43097732

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (CID 43194697) is 4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is Cc1ccc(C(C)Nc2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is JFXSOVSQHSBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-9-3-8-13(16-9)10(2)15-12-6-4-11(14)5-7-12/h3-8,10,15H,1-2H3.
What are the key properties of 4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 235.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43194697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).