2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline

C13H13Cl2NS — CID 65467227

IUPAC2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H13Cl2NS/c1-2-9-6-7-10(17-9)8-16-13-11(14)4-3-5-12(13)15/h3-7,16H,2,8H2,1H3
InChIKeyUGTMVFTZSBWWFH-UHFFFAOYSA-N
MW286.23 g/mol
LogP5.23
Rot. Bonds4

About 2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline

2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline (PubChem CID 65467227) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
PubChem CID65467227
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H13Cl2NS/c1-2-9-6-7-10(17-9)8-16-13-11(14)4-3-5-12(13)15/h3-7,16H,2,8H2,1H3
InChIKeyUGTMVFTZSBWWFH-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.23
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 28993341
2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 66253218
N-[(5-ethylthiophen-2-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 115281522
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
2,5-diethylthiophene
CID 521294
6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine
CID 104877579
6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106015208
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-6-nitroaniline
CID 81310881
3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106013087
2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28992364
4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65025343

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline (CID 65467227) is 2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline is CCc1ccc(CNc2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The InChIKey is UGTMVFTZSBWWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-2-9-6-7-10(17-9)8-16-13-11(14)4-3-5-12(13)15/h3-7,16H,2,8H2,1H3.
What are the key properties of 2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline?
2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline has a molecular weight of 286.23 g/mol, XLogP of 5.23, 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-[(5-ethylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 65467227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).