N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline

C12H10BrCl2NS — CID 63422945

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C12H10BrCl2NS/c1-7(11-2-3-12(13)17-11)16-10-5-8(14)4-9(15)6-10/h2-7,16H,1H3
InChIKeyLQCFUXSXGCKUHU-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.99
Rot. Bonds3

About N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline

N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline (PubChem CID 63422945) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
PubChem CID63422945
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C12H10BrCl2NS/c1-7(11-2-3-12(13)17-11)16-10-5-8(14)4-9(15)6-10/h2-7,16H,1H3
InChIKeyLQCFUXSXGCKUHU-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.10
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 54898292
N-[1-(5-bromothiophen-2-yl)ethyl]-4-chloro-3-methoxyaniline
CID 107621272
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 63419250
N-[1-(5-bromothiophen-2-yl)ethyl]-3-chloro-4-propoxyaniline
CID 63451284
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 114052002
N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-3-(trifluoromethyl)aniline
CID 63455411
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
CID 63423744
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 63422025
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499
2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline
CID 107597590
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 61000192

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline (CID 63422945) is N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline is CC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline?
The InChIKey is LQCFUXSXGCKUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c1-7(11-2-3-12(13)17-11)16-10-5-8(14)4-9(15)6-10/h2-7,16H,1H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline?
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline has a molecular weight of 351.10 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline is sourced from PubChem (CID 63422945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).