N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline

C13H13ClFNS — CID 43439176

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(Cl)s2)c(F)c1
InChIInChI=1S/C13H13ClFNS/c1-8-3-4-11(10(15)7-8)16-9(2)12-5-6-13(14)17-12/h3-7,9,16H,1-2H3
InChIKeyZYRJAFMUCRKUDV-UHFFFAOYSA-N
MW269.77 g/mol
LogP5.02
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline (PubChem CID 43439176) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline
PubChem CID43439176
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(Cl)s2)c(F)c1
InChIInChI=1S/C13H13ClFNS/c1-8-3-4-11(10(15)7-8)16-9(2)12-5-6-13(14)17-12/h3-7,9,16H,1-2H3
InChIKeyZYRJAFMUCRKUDV-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.77
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643647
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
4-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-difluoroaniline
CID 65469266
2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 81264190
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 43683406
2-amino-6-[1-(5-chlorothiophen-2-yl)ethylamino]-3-fluorobenzoic acid
CID 83215744
2-fluoro-4-methyl-N-(1-phenylethyl)aniline
CID 43088352
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine
CID 66093344
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 43678129
4-[1-(5-chlorothiophen-2-yl)ethylamino]-3,5-difluorobenzonitrile
CID 78988488
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline (CID 43439176) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline is Cc1ccc(NC(C)c2ccc(Cl)s2)c(F)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline?
The InChIKey is ZYRJAFMUCRKUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-8-3-4-11(10(15)7-8)16-9(2)12-5-6-13(14)17-12/h3-7,9,16H,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline has a molecular weight of 269.77 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 43439176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).