5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline

C12H11BrFNS — CID 62091558

IUPAC5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccsc1
InChIInChI=1S/C12H11BrFNS/c1-8(9-4-5-16-7-9)15-12-6-10(13)2-3-11(12)14/h2-8,15H,1H3
InChIKeyWQLQHAHYAQUXKF-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.82
Rot. Bonds3

About 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline

5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 62091558) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
PubChem CID62091558
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccsc1
InChIInChI=1S/C12H11BrFNS/c1-8(9-4-5-16-7-9)15-12-6-10(13)2-3-11(12)14/h2-8,15H,1H3
InChIKeyWQLQHAHYAQUXKF-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 63423180
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
CID 63423744
2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62089841
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
5-bromo-2-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43555336
5-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555308
4-chloro-1-N-(1-thiophen-3-ylethyl)benzene-1,2-diamine
CID 62840811
5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
CID 43555233
methyl 2,4-difluoro-5-(1-thiophen-3-ylethylamino)benzoate
CID 62091574
2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 115923359
4-[1-(5-bromo-2-fluoroanilino)ethyl]benzene-1,3-diol
CID 43555382

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline (CID 62091558) is 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline is CC(Nc1cc(Br)ccc1F)c1ccsc1.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is WQLQHAHYAQUXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c1-8(9-4-5-16-7-9)15-12-6-10(13)2-3-11(12)14/h2-8,15H,1H3.
What are the key properties of 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline?
5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 300.20 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 62091558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).