4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline

C12H11BrClNS — CID 63423180

IUPAC4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccsc1
InChIInChI=1S/C12H11BrClNS/c1-8(9-4-5-16-7-9)15-12-3-2-10(13)6-11(12)14/h2-8,15H,1H3
InChIKeyIEYFJERLJQKQJY-UHFFFAOYSA-N
MW316.65 g/mol
LogP5.34
Rot. Bonds3

About 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline

4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 63423180) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
PubChem CID63423180
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccc(Br)cc1Cl)c1ccsc1
InChIInChI=1S/C12H11BrClNS/c1-8(9-4-5-16-7-9)15-12-3-2-10(13)6-11(12)14/h2-8,15H,1H3
InChIKeyIEYFJERLJQKQJY-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.65
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62091558
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
3-chloro-4-(1-thiophen-3-ylethylamino)benzoic acid
CID 63087825
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
4-chloro-1-N-(1-thiophen-3-ylethyl)benzene-1,2-diamine
CID 62840811
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline
CID 43168155
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroaniline
CID 43774920
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline (CID 63423180) is 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline is CC(Nc1ccc(Br)cc1Cl)c1ccsc1.
What is the InChIKey of 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is IEYFJERLJQKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c1-8(9-4-5-16-7-9)15-12-3-2-10(13)6-11(12)14/h2-8,15H,1H3.
What are the key properties of 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline?
4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 316.65 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 63423180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).