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

C13H12BrCl2NS — CID 28993341

IUPAC4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2c(Cl)cc(Br)cc2Cl)s1
InChIInChI=1S/C13H12BrCl2NS/c1-2-9-3-4-10(18-9)7-17-13-11(15)5-8(14)6-12(13)16/h3-6,17H,2,7H2,1H3
InChIKeyPGRSBVSEGXNKAK-UHFFFAOYSA-N
MW365.12 g/mol
LogP5.99
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline

4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline (PubChem CID 28993341) has the molecular formula C13H12BrCl2NS and a molecular weight of 365.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
PubChem CID28993341
Molecular FormulaC13H12BrCl2NS
Molecular Weight365.12 g/mol
Exact Mass362.93
IUPAC Name4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2c(Cl)cc(Br)cc2Cl)s1
InChIInChI=1S/C13H12BrCl2NS/c1-2-9-3-4-10(18-9)7-17-13-11(15)5-8(14)6-12(13)16/h3-6,17H,2,7H2,1H3
InChIKeyPGRSBVSEGXNKAK-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.12
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[5-[(4-bromo-2,6-dichloroanilino)methyl]thiophen-2-yl]acetate
CID 82886699
2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65467227
N-[(5-bromothiophen-2-yl)methyl]-2,4,6-trichloroaniline
CID 28992400
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline
CID 28992923
N-[(5-ethylthiophen-2-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 115281522
2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28992364
4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 81292299
3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106013087
3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 106007348
3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 65489813
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine
CID 81260087
4-bromo-2-chloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43347207

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline (CID 28993341) is 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline is CCc1ccc(CNc2c(Cl)cc(Br)cc2Cl)s1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The InChIKey is PGRSBVSEGXNKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2NS/c1-2-9-3-4-10(18-9)7-17-13-11(15)5-8(14)6-12(13)16/h3-6,17H,2,7H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline?
4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline has a molecular weight of 365.12 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 28993341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).