2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline

C14H14Cl2FNS — CID 83078059

IUPAC2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
SMILESCCc1ccc(C(C)Nc2c(Cl)cc(F)cc2Cl)s1
InChIInChI=1S/C14H14Cl2FNS/c1-3-10-4-5-13(19-10)8(2)18-14-11(15)6-9(17)7-12(14)16/h4-8,18H,3H2,1-2H3
InChIKeyGYLPQIPNQYVNJH-UHFFFAOYSA-N
MW318.24 g/mol
LogP5.93
Rot. Bonds4

About 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline

2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline (PubChem CID 83078059) has the molecular formula C14H14Cl2FNS and a molecular weight of 318.24 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
PubChem CID83078059
Molecular FormulaC14H14Cl2FNS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
SMILESCCc1ccc(C(C)Nc2c(Cl)cc(F)cc2Cl)s1
InChIInChI=1S/C14H14Cl2FNS/c1-3-10-4-5-13(19-10)8(2)18-14-11(15)6-9(17)7-12(14)16/h4-8,18H,3H2,1-2H3
InChIKeyGYLPQIPNQYVNJH-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.24
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline
CID 63418127
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline
CID 107633198
1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480778
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-nitroaniline
CID 82864654
3-[1-(5-ethylthiophen-2-yl)ethylamino]-4-fluorobenzoic acid
CID 61335160
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline
CID 114258374
5-[1-(5-ethylthiophen-2-yl)ethylamino]-2,4-difluorobenzoic acid
CID 61335529

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline (CID 83078059) is 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline is CCc1ccc(C(C)Nc2c(Cl)cc(F)cc2Cl)s1.
What is the InChIKey of 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline?
The InChIKey is GYLPQIPNQYVNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FNS/c1-3-10-4-5-13(19-10)8(2)18-14-11(15)6-9(17)7-12(14)16/h4-8,18H,3H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline?
2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline has a molecular weight of 318.24 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 83078059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).