2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline

C14H15BrFNS — CID 107633198

IUPAC2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline
SMILESCCc1ccc(C(C)Nc2cc(F)ccc2Br)s1
InChIInChI=1S/C14H15BrFNS/c1-3-11-5-7-14(18-11)9(2)17-13-8-10(16)4-6-12(13)15/h4-9,17H,3H2,1-2H3
InChIKeyFXVWCAZAIWRUMH-UHFFFAOYSA-N
MW328.25 g/mol
LogP5.39
Rot. Bonds4

About 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline

2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline (PubChem CID 107633198) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline
PubChem CID107633198
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline
SMILESCCc1ccc(C(C)Nc2cc(F)ccc2Br)s1
InChIInChI=1S/C14H15BrFNS/c1-3-11-5-7-14(18-11)9(2)17-13-8-10(16)4-6-12(13)15/h4-9,17H,3H2,1-2H3
InChIKeyFXVWCAZAIWRUMH-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 83078059
N-[1-(1-benzothiophen-2-yl)ethyl]-2-bromo-5-fluoroaniline
CID 107633231
N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488446
2-bromo-4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43119334
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline
CID 114258374
1-(2-bromo-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480821
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115843203
4-bromo-2-[1-(5-ethylthiophen-2-yl)ethylamino]benzonitrile
CID 107797583
3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
5-[1-(5-ethylthiophen-2-yl)ethylamino]-2,4-difluorobenzoic acid
CID 61335529
3-[1-(5-ethylthiophen-2-yl)ethylamino]-4-fluorobenzoic acid
CID 61335160

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline?
The IUPAC name of 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline (CID 107633198) is 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline is CCc1ccc(C(C)Nc2cc(F)ccc2Br)s1.
What is the InChIKey of 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline?
The InChIKey is FXVWCAZAIWRUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-3-11-5-7-14(18-11)9(2)17-13-8-10(16)4-6-12(13)15/h4-9,17H,3H2,1-2H3.
What are the key properties of 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline?
2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline has a molecular weight of 328.25 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline is sourced from PubChem (CID 107633198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).