N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline

C14H16FNS — CID 43106448

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
SMILESCc1cc(C(C)Nc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C14H16FNS/c1-9-8-14(11(3)17-9)10(2)16-13-6-4-12(15)5-7-13/h4-8,10,16H,1-3H3
InChIKeyUHANLUBCWINPPP-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.68
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline (PubChem CID 43106448) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
PubChem CID43106448
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
SMILESCc1cc(C(C)Nc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C14H16FNS/c1-9-8-14(11(3)17-9)10(2)16-13-6-4-12(15)5-7-13/h4-8,10,16H,1-3H3
InChIKeyUHANLUBCWINPPP-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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Related Compounds

4-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-fluoroaniline
CID 43721303
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43150400
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
CID 43104796
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide
CID 43742464
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43101504
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol
CID 43743593
2-chloro-4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451348
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxyaniline
CID 43103753
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676207

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline (CID 43106448) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline is Cc1cc(C(C)Nc2ccc(F)cc2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline?
The InChIKey is UHANLUBCWINPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9-8-14(11(3)17-9)10(2)16-13-6-4-12(15)5-7-13/h4-8,10,16H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline 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 N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 43106448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).