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

C12H10BrCl2NS — CID 63422025

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
SMILESCC(Nc1cccc(Cl)c1Cl)c1ccc(Br)s1
InChIInChI=1S/C12H10BrCl2NS/c1-7(10-5-6-11(13)17-10)16-9-4-2-3-8(14)12(9)15/h2-7,16H,1H3
InChIKeyXZVLEWNRSQKOOB-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.99
Rot. Bonds3

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

N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline (PubChem CID 63422025) 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]-2,3-dichloroaniline.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
PubChem CID63422025
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
SMILESCC(Nc1cccc(Cl)c1Cl)c1ccc(Br)s1
InChIInChI=1S/C12H10BrCl2NS/c1-7(10-5-6-11(13)17-10)16-9-4-2-3-8(14)12(9)15/h2-7,16H,1H3
InChIKeyXZVLEWNRSQKOOB-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

2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 114909675
2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline
CID 107597590
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
CID 79042136
2-[1-(5-bromothiophen-2-yl)ethylamino]-6-methylbenzonitrile
CID 107803553
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
CID 63422945
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 114052002
N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
CID 61000541
2-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-4-methylaniline
CID 63418639
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110
N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63433281
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
CID 63423744

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline (CID 63422025) is N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline is CC(Nc1cccc(Cl)c1Cl)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline?
The InChIKey is XZVLEWNRSQKOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c1-7(10-5-6-11(13)17-10)16-9-4-2-3-8(14)12(9)15/h2-7,16H,1H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline?
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-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]-2,3-dichloroaniline is sourced from PubChem (CID 63422025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).